tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide

C185H196N44O17 — CID 158081847

IUPACtert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(CC(=O)Cn3cc(-c4ccnc(C)c4)c(C)n3)nc2)cn1.CC(C)(C)OC(=O)N1CC=C(c2cnn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2)CC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCN(C(=O)OC(C)(C)C)CC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCNCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)cc1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)cc1C1=CCOCC1
InChIInChI=1S/C27H32N6O3.C25H28N6O3.C25H24N6O2.C22H24N6O.2C22H23N5O2.2C21H21N5O2/c1-18-25(20-8-12-32(13-9-20)26(35)36-27(3,4)5)19(2)33(31-18)17-23(34)14-22-7-6-21(15-30-22)24-16-28-10-11-29-24;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;1-16-10-19(8-9-26-16)24-15-31(30-17(24)2)14-23(33)11-22-6-4-20(12-27-22)21-5-7-25(28-13-21)29-18(3)32;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*1-15-22(17-5-9-29-10-6-17)16(2)27(26-15)14-20(28)11-19-4-3-18(12-25-19)21-13-23-7-8-24-21;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/h6-8,10-11,15-16H,9,12-14,17H2,1-5H3;4-6,8-9,13-16H,7,10-12,17H2,1-3H3;4-10,12-13,15H,11,14H2,1-3H3,(H,28,29,32);3-5,9-10,12-13,23H,6-8,11,14H2,1-2H3;2*3-5,7-8,12-13H,6,9-11,14H2,1-2H3;2*2-4,6-7,11-12,14H,5,8-10,13H2,1H3
InChIKeyFNAYRYQUKPXFSS-UHFFFAOYSA-N
MW3307.89 g/mol
LogP25.34
Rot. Bonds49

About tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide

tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 158081847) has the molecular formula C185H196N44O17 and a molecular weight of 3307.89 g/mol. Its IUPAC name is tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Nametert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID158081847
Molecular FormulaC185H196N44O17
Molecular Weight3307.89 g/mol
Exact Mass3305.58
IUPAC Nametert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(CC(=O)Cn3cc(-c4ccnc(C)c4)c(C)n3)nc2)cn1.CC(C)(C)OC(=O)N1CC=C(c2cnn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2)CC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCN(C(=O)OC(C)(C)C)CC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCNCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)cc1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)cc1C1=CCOCC1
InChIInChI=1S/C27H32N6O3.C25H28N6O3.C25H24N6O2.C22H24N6O.2C22H23N5O2.2C21H21N5O2/c1-18-25(20-8-12-32(13-9-20)26(35)36-27(3,4)5)19(2)33(31-18)17-23(34)14-22-7-6-21(15-30-22)24-16-28-10-11-29-24;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;1-16-10-19(8-9-26-16)24-15-31(30-17(24)2)14-23(33)11-22-6-4-20(12-27-22)21-5-7-25(28-13-21)29-18(3)32;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*1-15-22(17-5-9-29-10-6-17)16(2)27(26-15)14-20(28)11-19-4-3-18(12-25-19)21-13-23-7-8-24-21;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/h6-8,10-11,15-16H,9,12-14,17H2,1-5H3;4-6,8-9,13-16H,7,10-12,17H2,1-3H3;4-10,12-13,15H,11,14H2,1-3H3,(H,28,29,32);3-5,9-10,12-13,23H,6-8,11,14H2,1-2H3;2*3-5,7-8,12-13H,6,9-11,14H2,1-2H3;2*2-4,6-7,11-12,14H,5,8-10,13H2,1H3
InChIKeyFNAYRYQUKPXFSS-UHFFFAOYSA-N
XLogP25.34
TPSA725.61 Ų
H-Bond Donors2
H-Bond Acceptors58
Rotatable Bonds49
Heavy Atoms246
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003307.89
LogP ≤ 525.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1058

Analyze tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide (CID 158081847) is tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ccc(CC(=O)Cn3cc(-c4ccnc(C)c4)c(C)n3)nc2)cn1.CC(C)(C)OC(=O)N1CC=C(c2cnn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2)CC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCN(C(=O)OC(C)(C)C)CC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCNCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)cc1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)cc1C1=CCOCC1.
What is the InChIKey of tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is FNAYRYQUKPXFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3.C25H28N6O3.C25H24N6O2.C22H24N6O.2C22H23N5O2.2C21H21N5O2/c1-18-25(20-8-12-32(13-9-20)26(35)36-27(3,4)5)19(2)33(31-18)17-23(34)14-22-7-6-21(15-30-22)24-16-28-10-11-29-24;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;1-16-10-19(8-9-26-16)24-15-31(30-17(24)2)14-23(33)11-22-6-4-20(12-27-22)21-5-7-25(28-13-21)29-18(3)32;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*1-15-22(17-5-9-29-10-6-17)16(2)27(26-15)14-20(28)11-19-4-3-18(12-25-19)21-13-23-7-8-24-21;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/h6-8,10-11,15-16H,9,12-14,17H2,1-5H3;4-6,8-9,13-16H,7,10-12,17H2,1-3H3;4-10,12-13,15H,11,14H2,1-3H3,(H,28,29,32);3-5,9-10,12-13,23H,6-8,11,14H2,1-2H3;2*3-5,7-8,12-13H,6,9-11,14H2,1-2H3;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-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide?
tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 3307.89 g/mol, XLogP of 25.34, 49 rotatable bonds, 2 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3,5-dimethyl-1-[2-oxo-3-(5-pyrazin-2-yl-2-pyridinyl)propyl]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)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one);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-[3,5-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 158081847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).