tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

C235H263N53O22 — CID 158569947

IUPACtert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESCC(C)(C)OC(=O)N1CC=C(c2cnn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2)CC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CC(C)OC(C)C1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCNCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1CC(C)OC(C)C1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)cc1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)cc1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cncnc3)cn2)c(C)c1C1=CC(C)OC(C)C1.Cc1nn(CC(=O)Cc2ccc(-c3cncnc3)cn2)c(C)c1C1CC(C)OC(C)C1.Cc1nn(CC(=O)Cc2ccc(-c3ncccn3)cn2)c(C)c1C1=CC(C)OC(C)C1.Cc1nn(CC(=O)Oc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C26H30N6O4.C25H28N6O3.C24H27N5O2.C24H29N5O2.C24H27N5O2.C24H29N5O2.C24H27N5O2.C22H24N6O.2C21H21N5O2/c1-17-24(19-8-12-31(13-9-19)25(34)36-26(3,4)5)18(2)32(30-17)16-23(33)35-22-7-6-20(14-29-22)21-15-27-10-11-28-21;1-25(2,3)34-24(33)30-10-6-18(7-11-30)20-14-29-31(16-20)17-22(32)12-21-5-4-19(13-28-21)23-15-26-8-9-27-23;1-15-10-20(11-16(2)31-15)23-17(3)28-29(18(23)4)14-22(30)12-21-7-6-19(13-27-21)24-25-8-5-9-26-24;2*1-15-7-20(8-16(2)31-15)24-17(3)28-29(18(24)4)13-23(30)9-22-6-5-19(12-27-22)21-10-25-14-26-11-21;2*1-15-9-20(10-16(2)31-15)24-17(3)28-29(18(24)4)14-22(30)11-21-6-5-19(12-27-21)23-13-25-7-8-26-23;1-15-22(17-5-7-23-8-6-17)16(2)28(27-15)14-20(29)11-19-4-3-18(12-26-19)21-13-24-9-10-25-21;2*1-15-20(16-4-8-28-9-5-16)14-26(25-15)13-19(27)10-18-3-2-17(11-24-18)21-12-22-6-7-23-21/h6-8,10-11,14-15H,9,12-13,16H2,1-5H3;4-6,8-9,13-16H,7,10-12,17H2,1-3H3;5-10,13,15-16H,11-12,14H2,1-4H3;5-6,10-12,14-16,20H,7-9,13H2,1-4H3;5-7,10-12,14-16H,8-9,13H2,1-4H3;5-8,12-13,15-16,20H,9-11,14H2,1-4H3;5-9,12-13,15-16H,10-11,14H2,1-4H3;3-5,9-10,12-13,23H,6-8,11,14H2,1-2H3;2*2-4,6-7,11-12,14H,5,8-10,13H2,1H3
InChIKeyHRYLWOHNLZECCL-UHFFFAOYSA-N
MW4182.04 g/mol
LogP34.31
Rot. Bonds59

About tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (PubChem CID 158569947) has the molecular formula C235H263N53O22 and a molecular weight of 4182.04 g/mol. Its IUPAC name is tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Nametert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
PubChem CID158569947
Molecular FormulaC235H263N53O22
Molecular Weight4182.04 g/mol
Exact Mass4179.11
IUPAC Nametert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESCC(C)(C)OC(=O)N1CC=C(c2cnn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2)CC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CC(C)OC(C)C1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCNCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1CC(C)OC(C)C1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)cc1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)cc1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cncnc3)cn2)c(C)c1C1=CC(C)OC(C)C1.Cc1nn(CC(=O)Cc2ccc(-c3cncnc3)cn2)c(C)c1C1CC(C)OC(C)C1.Cc1nn(CC(=O)Cc2ccc(-c3ncccn3)cn2)c(C)c1C1=CC(C)OC(C)C1.Cc1nn(CC(=O)Oc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C26H30N6O4.C25H28N6O3.C24H27N5O2.C24H29N5O2.C24H27N5O2.C24H29N5O2.C24H27N5O2.C22H24N6O.2C21H21N5O2/c1-17-24(19-8-12-31(13-9-19)25(34)36-26(3,4)5)18(2)32(30-17)16-23(33)35-22-7-6-20(14-29-22)21-15-27-10-11-28-21;1-25(2,3)34-24(33)30-10-6-18(7-11-30)20-14-29-31(16-20)17-22(32)12-21-5-4-19(13-28-21)23-15-26-8-9-27-23;1-15-10-20(11-16(2)31-15)23-17(3)28-29(18(23)4)14-22(30)12-21-7-6-19(13-27-21)24-25-8-5-9-26-24;2*1-15-7-20(8-16(2)31-15)24-17(3)28-29(18(24)4)13-23(30)9-22-6-5-19(12-27-22)21-10-25-14-26-11-21;2*1-15-9-20(10-16(2)31-15)24-17(3)28-29(18(24)4)14-22(30)11-21-6-5-19(12-27-21)23-13-25-7-8-26-23;1-15-22(17-5-7-23-8-6-17)16(2)28(27-15)14-20(29)11-19-4-3-18(12-26-19)21-13-24-9-10-25-21;2*1-15-20(16-4-8-28-9-5-16)14-26(25-15)13-19(27)10-18-3-2-17(11-24-18)21-12-22-6-7-23-21/h6-8,10-11,14-15H,9,12-13,16H2,1-5H3;4-6,8-9,13-16H,7,10-12,17H2,1-3H3;5-10,13,15-16H,11-12,14H2,1-4H3;5-6,10-12,14-16,20H,7-9,13H2,1-4H3;5-7,10-12,14-16H,8-9,13H2,1-4H3;5-8,12-13,15-16,20H,9-11,14H2,1-4H3;5-9,12-13,15-16H,10-11,14H2,1-4H3;3-5,9-10,12-13,23H,6-8,11,14H2,1-2H3;2*2-4,6-7,11-12,14H,5,8-10,13H2,1H3
InChIKeyHRYLWOHNLZECCL-UHFFFAOYSA-N
XLogP34.31
TPSA880.55 Ų
H-Bond Donors1
H-Bond Acceptors73
Rotatable Bonds59
Heavy Atoms310
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004182.04
LogP ≤ 534.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1073

Analyze tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The IUPAC name of tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (CID 158569947) is tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.
What is the SMILES notation for tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The canonical SMILES for tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is CC(C)(C)OC(=O)N1CC=C(c2cnn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2)CC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CC(C)OC(C)C1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCNCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1CC(C)OC(C)C1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)cc1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)cc1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cncnc3)cn2)c(C)c1C1=CC(C)OC(C)C1.Cc1nn(CC(=O)Cc2ccc(-c3cncnc3)cn2)c(C)c1C1CC(C)OC(C)C1.Cc1nn(CC(=O)Cc2ccc(-c3ncccn3)cn2)c(C)c1C1=CC(C)OC(C)C1.Cc1nn(CC(=O)Oc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The InChIKey is HRYLWOHNLZECCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4.C25H28N6O3.C24H27N5O2.C24H29N5O2.C24H27N5O2.C24H29N5O2.C24H27N5O2.C22H24N6O.2C21H21N5O2/c1-17-24(19-8-12-31(13-9-19)25(34)36-26(3,4)5)18(2)32(30-17)16-23(33)35-22-7-6-20(14-29-22)21-15-27-10-11-28-21;1-25(2,3)34-24(33)30-10-6-18(7-11-30)20-14-29-31(16-20)17-22(32)12-21-5-4-19(13-28-21)23-15-26-8-9-27-23;1-15-10-20(11-16(2)31-15)23-17(3)28-29(18(23)4)14-22(30)12-21-7-6-19(13-27-21)24-25-8-5-9-26-24;2*1-15-7-20(8-16(2)31-15)24-17(3)28-29(18(24)4)13-23(30)9-22-6-5-19(12-27-22)21-10-25-14-26-11-21;2*1-15-9-20(10-16(2)31-15)24-17(3)28-29(18(24)4)14-22(30)11-21-6-5-19(12-27-21)23-13-25-7-8-26-23;1-15-22(17-5-7-23-8-6-17)16(2)28(27-15)14-20(29)11-19-4-3-18(12-26-19)21-13-24-9-10-25-21;2*1-15-20(16-4-8-28-9-5-16)14-26(25-15)13-19(27)10-18-3-2-17(11-24-18)21-12-22-6-7-23-21/h6-8,10-11,14-15H,9,12-13,16H2,1-5H3;4-6,8-9,13-16H,7,10-12,17H2,1-3H3;5-10,13,15-16H,11-12,14H2,1-4H3;5-6,10-12,14-16,20H,7-9,13H2,1-4H3;5-7,10-12,14-16H,8-9,13H2,1-4H3;5-8,12-13,15-16,20H,9-11,14H2,1-4H3;5-9,12-13,15-16H,10-11,14H2,1-4H3;3-5,9-10,12-13,23H,6-8,11,14H2,1-2H3;2*2-4,6-7,11-12,14H,5,8-10,13H2,1H3.
What are the key properties of tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one has a molecular weight of 4182.04 g/mol, XLogP of 34.31, 59 rotatable bonds, 1 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3,5-dimethyl-1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;bis(1-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[4-(2,6-dimethyloxan-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 158569947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).