3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

C210H207N51O13 — CID 158536924

IUPAC3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESCC(=O)Nc1ccc(-c2ccc(CC(=O)Cn3cc(-c4ccnc(C)c4)c(C)n3)nc2)cn1.COc1ccc(-c2ccc(CC(=O)Cn3cc(-c4ccnc(C)c4)c(C)n3)nc2)cn1.Cc1cc(-c2c(C)nn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2C)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4ccc(N(C)C)nc4)cn3)nc2C)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cnccn4)cn3)nc2C)ccn1.Cc1ccc(-c2c(C)nn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2C)cn1.Cc1ccc(-c2c(C)nn(CC(=O)Cc3ccc(-c4cncnc4)cn3)c2C)cn1.Cc1nn(C(C)C(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1
InChIInChI=1S/C25H24N6O2.C25H26N6O.C24H23N5O2.3C23H22N6O.C23H25N5O2.C22H20N6O.C22H23N5O2/c1-16-10-19(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;1-17-11-19(9-10-26-17)24-16-31(29-18(24)2)15-23(32)12-22-7-5-20(13-27-22)21-6-8-25(28-14-21)30(3)4;1-16-10-18(8-9-25-16)23-15-29(28-17(23)2)14-22(30)11-21-6-4-19(12-26-21)20-5-7-24(31-3)27-13-20;1-15-4-5-19(12-26-15)23-16(2)28-29(17(23)3)13-22(30)8-21-7-6-18(11-27-21)20-9-24-14-25-10-20;1-15-10-18(6-7-25-15)23-16(2)28-29(17(23)3)14-21(30)11-20-5-4-19(12-27-20)22-13-24-8-9-26-22;1-15-4-5-19(12-26-15)23-16(2)28-29(17(23)3)14-21(30)10-20-7-6-18(11-27-20)22-13-24-8-9-25-22;1-15-23(18-6-10-30-11-7-18)17(3)28(27-15)16(2)22(29)12-20-5-4-19(13-26-20)21-14-24-8-9-25-21;1-15-9-17(5-6-24-15)21-14-28(27-16(21)2)13-20(29)10-19-4-3-18(11-26-19)22-12-23-7-8-25-22;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/h4-10,12-13,15H,11,14H2,1-3H3,(H,28,29,32);5-11,13-14,16H,12,15H2,1-4H3;4-10,12-13,15H,11,14H2,1-3H3;4-7,9-12,14H,8,13H2,1-3H3;4-10,12-13H,11,14H2,1-3H3;4-9,11-13H,10,14H2,1-3H3;4-6,8-9,13-14,16H,7,10-12H2,1-3H3;3-9,11-12,14H,10,13H2,1-2H3;3-5,7-8,12-13H,6,9-11,14H2,1-2H3
InChIKeyHOBARHGLNOMWOW-UHFFFAOYSA-N
MW3653.31 g/mol
LogP31.85
Rot. Bonds57

About 3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one

3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (PubChem CID 158536924) has the molecular formula C210H207N51O13 and a molecular weight of 3653.31 g/mol. Its IUPAC name is 3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
PubChem CID158536924
Molecular FormulaC210H207N51O13
Molecular Weight3653.31 g/mol
Exact Mass3650.71
IUPAC Name3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one
SMILESCC(=O)Nc1ccc(-c2ccc(CC(=O)Cn3cc(-c4ccnc(C)c4)c(C)n3)nc2)cn1.COc1ccc(-c2ccc(CC(=O)Cn3cc(-c4ccnc(C)c4)c(C)n3)nc2)cn1.Cc1cc(-c2c(C)nn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2C)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4ccc(N(C)C)nc4)cn3)nc2C)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cnccn4)cn3)nc2C)ccn1.Cc1ccc(-c2c(C)nn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2C)cn1.Cc1ccc(-c2c(C)nn(CC(=O)Cc3ccc(-c4cncnc4)cn3)c2C)cn1.Cc1nn(C(C)C(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1
InChIInChI=1S/C25H24N6O2.C25H26N6O.C24H23N5O2.3C23H22N6O.C23H25N5O2.C22H20N6O.C22H23N5O2/c1-16-10-19(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;1-17-11-19(9-10-26-17)24-16-31(29-18(24)2)15-23(32)12-22-7-5-20(13-27-22)21-6-8-25(28-14-21)30(3)4;1-16-10-18(8-9-25-16)23-15-29(28-17(23)2)14-22(30)11-21-6-4-19(12-26-21)20-5-7-24(31-3)27-13-20;1-15-4-5-19(12-26-15)23-16(2)28-29(17(23)3)13-22(30)8-21-7-6-18(11-27-21)20-9-24-14-25-10-20;1-15-10-18(6-7-25-15)23-16(2)28-29(17(23)3)14-21(30)11-20-5-4-19(12-27-20)22-13-24-8-9-26-22;1-15-4-5-19(12-26-15)23-16(2)28-29(17(23)3)14-21(30)10-20-7-6-18(11-27-20)22-13-24-8-9-25-22;1-15-23(18-6-10-30-11-7-18)17(3)28(27-15)16(2)22(29)12-20-5-4-19(13-26-20)21-14-24-8-9-25-21;1-15-9-17(5-6-24-15)21-14-28(27-16(21)2)13-20(29)10-19-4-3-18(11-26-19)22-12-23-7-8-25-22;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/h4-10,12-13,15H,11,14H2,1-3H3,(H,28,29,32);5-11,13-14,16H,12,15H2,1-4H3;4-10,12-13,15H,11,14H2,1-3H3;4-7,9-12,14H,8,13H2,1-3H3;4-10,12-13H,11,14H2,1-3H3;4-9,11-13H,10,14H2,1-3H3;4-6,8-9,13-14,16H,7,10-12H2,1-3H3;3-9,11-12,14H,10,13H2,1-2H3;3-5,7-8,12-13H,6,9-11,14H2,1-2H3
InChIKeyHOBARHGLNOMWOW-UHFFFAOYSA-N
XLogP31.85
TPSA773.63 Ų
H-Bond Donors1
H-Bond Acceptors63
Rotatable Bonds57
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003653.31
LogP ≤ 531.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1063

Analyze 3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The IUPAC name of 3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one (CID 158536924) is 3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The canonical SMILES for 3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is CC(=O)Nc1ccc(-c2ccc(CC(=O)Cn3cc(-c4ccnc(C)c4)c(C)n3)nc2)cn1.COc1ccc(-c2ccc(CC(=O)Cn3cc(-c4ccnc(C)c4)c(C)n3)nc2)cn1.Cc1cc(-c2c(C)nn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2C)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4ccc(N(C)C)nc4)cn3)nc2C)ccn1.Cc1cc(-c2cn(CC(=O)Cc3ccc(-c4cnccn4)cn3)nc2C)ccn1.Cc1ccc(-c2c(C)nn(CC(=O)Cc3ccc(-c4cnccn4)cn3)c2C)cn1.Cc1ccc(-c2c(C)nn(CC(=O)Cc3ccc(-c4cncnc4)cn3)c2C)cn1.Cc1nn(C(C)C(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1.Cc1nn(CC(=O)Cc2ccc(-c3cnccn3)cn2)c(C)c1C1=CCOCC1.
What is the InChIKey of 3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
The InChIKey is HOBARHGLNOMWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2.C25H26N6O.C24H23N5O2.3C23H22N6O.C23H25N5O2.C22H20N6O.C22H23N5O2/c1-16-10-19(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;1-17-11-19(9-10-26-17)24-16-31(29-18(24)2)15-23(32)12-22-7-5-20(13-27-22)21-6-8-25(28-14-21)30(3)4;1-16-10-18(8-9-25-16)23-15-29(28-17(23)2)14-22(30)11-21-6-4-19(12-26-21)20-5-7-24(31-3)27-13-20;1-15-4-5-19(12-26-15)23-16(2)28-29(17(23)3)13-22(30)8-21-7-6-18(11-27-21)20-9-24-14-25-10-20;1-15-10-18(6-7-25-15)23-16(2)28-29(17(23)3)14-21(30)11-20-5-4-19(12-27-20)22-13-24-8-9-26-22;1-15-4-5-19(12-26-15)23-16(2)28-29(17(23)3)14-21(30)10-20-7-6-18(11-27-20)22-13-24-8-9-25-22;1-15-23(18-6-10-30-11-7-18)17(3)28(27-15)16(2)22(29)12-20-5-4-19(13-26-20)21-14-24-8-9-25-21;1-15-9-17(5-6-24-15)21-14-28(27-16(21)2)13-20(29)10-19-4-3-18(11-26-19)22-12-23-7-8-25-22;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/h4-10,12-13,15H,11,14H2,1-3H3,(H,28,29,32);5-11,13-14,16H,12,15H2,1-4H3;4-10,12-13,15H,11,14H2,1-3H3;4-7,9-12,14H,8,13H2,1-3H3;4-10,12-13H,11,14H2,1-3H3;4-9,11-13H,10,14H2,1-3H3;4-6,8-9,13-14,16H,7,10-12H2,1-3H3;3-9,11-12,14H,10,13H2,1-2H3;3-5,7-8,12-13H,6,9-11,14H2,1-2H3.
What are the key properties of 3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one?
3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one has a molecular weight of 3653.31 g/mol, XLogP of 31.85, 57 rotatable bonds, 1 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-1-(5-pyrazin-2-yl-2-pyridinyl)butan-2-one;1-[4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethylpyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;1-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;1-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-3-(5-pyrimidin-5-yl-2-pyridinyl)propan-2-one;1-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]propan-2-one;N-[5-[6-[3-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-2-oxopropyl]-3-pyridinyl]-2-pyridinyl]acetamide;1-[3-methyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 158536924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).