2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone

C104H95FN30O6S — CID 158258567

IUPAC2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone
SMILESCN(c1cncnc1)c1ccnc(C(=O)Cc2ccccn2)c1.CN(c1cncnc1)c1ccnc(C(=O)Cc2ncccc2F)c1.Cc1ccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)nc1.Cc1cccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.Cc1csc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1
InChIInChI=1S/3C18H17N5O.C17H14FN5O.C17H15N5O.C16H15N5OS/c1-13-3-4-14(22-9-13)7-18(24)17-8-15(5-6-21-17)23(2)16-10-19-12-20-11-16;2*1-13-4-3-5-14(22-13)8-18(24)17-9-15(6-7-21-17)23(2)16-10-19-12-20-11-16;1-23(13-9-19-11-20-10-13)12-4-6-22-16(7-12)17(24)8-15-14(18)3-2-5-21-15;1-22(15-10-18-12-19-11-15)14-5-7-21-16(9-14)17(23)8-13-4-2-3-6-20-13;1-11-9-23-16(20-11)6-15(22)14-5-12(3-4-19-14)21(2)13-7-17-10-18-8-13/h3-6,8-12H,7H2,1-2H3;2*3-7,9-12H,8H2,1-2H3;2-7,9-11H,8H2,1H3;2-7,9-12H,8H2,1H3;3-5,7-10H,6H2,1-2H3
InChIKeyGHOYXTUGGKWHHI-UHFFFAOYSA-N
MW1912.17 g/mol
LogP16.19
Rot. Bonds30

About 2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone

2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone (PubChem CID 158258567) has the molecular formula C104H95FN30O6S and a molecular weight of 1912.17 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone
PubChem CID158258567
Molecular FormulaC104H95FN30O6S
Molecular Weight1912.17 g/mol
Exact Mass1910.78
IUPAC Name2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone
SMILESCN(c1cncnc1)c1ccnc(C(=O)Cc2ccccn2)c1.CN(c1cncnc1)c1ccnc(C(=O)Cc2ncccc2F)c1.Cc1ccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)nc1.Cc1cccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.Cc1csc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1
InChIInChI=1S/3C18H17N5O.C17H14FN5O.C17H15N5O.C16H15N5OS/c1-13-3-4-14(22-9-13)7-18(24)17-8-15(5-6-21-17)23(2)16-10-19-12-20-11-16;2*1-13-4-3-5-14(22-13)8-18(24)17-9-15(6-7-21-17)23(2)16-10-19-12-20-11-16;1-23(13-9-19-11-20-10-13)12-4-6-22-16(7-12)17(24)8-15-14(18)3-2-5-21-15;1-22(15-10-18-12-19-11-15)14-5-7-21-16(9-14)17(23)8-13-4-2-3-6-20-13;1-11-9-23-16(20-11)6-15(22)14-5-12(3-4-19-14)21(2)13-7-17-10-18-8-13/h3-6,8-12H,7H2,1-2H3;2*3-7,9-12H,8H2,1-2H3;2-7,9-11H,8H2,1H3;2-7,9-12H,8H2,1H3;3-5,7-10H,6H2,1-2H3
InChIKeyGHOYXTUGGKWHHI-UHFFFAOYSA-N
XLogP16.19
TPSA431.22 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001912.17
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 127032072
4-fluoro-N-methyl-N-[4-(6-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-yl]benzamide
CID 16659976
1-[3-Fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone
CID 58318752
1-[3-Fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 58318762
1-[4-Fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 58318802
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone
CID 58318811
2-[4-Fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone
CID 58337688
2-[4-(1,1-Difluoroethyl)-2-pyridinyl]-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]ethanone;1-[3-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 123832572
4-(1,1-difluoroethyl)-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]pyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1,3-thiazole-4-carboxamide;3-fluoro-N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-6-methylpyridine-2-carboxamide;N-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-5-methylpyridine-2-carboxamide
CID 123938381
5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methyl-5-oxopentanamide
CID 134605589
6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methyl-6-oxohexanamide
CID 134605802
4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]-N-[1-[[1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methyl-4-oxobutanamide
CID 134605803

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone (CID 158258567) is 2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone is CN(c1cncnc1)c1ccnc(C(=O)Cc2ccccn2)c1.CN(c1cncnc1)c1ccnc(C(=O)Cc2ncccc2F)c1.Cc1ccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)nc1.Cc1cccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.Cc1csc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone?
The InChIKey is GHOYXTUGGKWHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H17N5O.C17H14FN5O.C17H15N5O.C16H15N5OS/c1-13-3-4-14(22-9-13)7-18(24)17-8-15(5-6-21-17)23(2)16-10-19-12-20-11-16;2*1-13-4-3-5-14(22-13)8-18(24)17-9-15(6-7-21-17)23(2)16-10-19-12-20-11-16;1-23(13-9-19-11-20-10-13)12-4-6-22-16(7-12)17(24)8-15-14(18)3-2-5-21-15;1-22(15-10-18-12-19-11-15)14-5-7-21-16(9-14)17(23)8-13-4-2-3-6-20-13;1-11-9-23-16(20-11)6-15(22)14-5-12(3-4-19-14)21(2)13-7-17-10-18-8-13/h3-6,8-12H,7H2,1-2H3;2*3-7,9-12H,8H2,1-2H3;2-7,9-11H,8H2,1H3;2-7,9-12H,8H2,1H3;3-5,7-10H,6H2,1-2H3.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone?
2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone has a molecular weight of 1912.17 g/mol, XLogP of 16.19, 30 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;bis(2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone);1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 158258567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).