4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile

C31H26FN11S — CID 171494878

IUPAC4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(NC2CCN(Cc3ccc(-n4c(-c5csnc5N)nc5ccc(-c6ccc(F)cn6)nc54)cc3)CC2)n1
InChIInChI=1S/C31H26FN11S/c32-20-3-6-24(36-16-20)25-7-8-26-31(38-25)43(30(39-26)23-18-44-41-29(23)34)22-4-1-19(2-5-22)17-42-13-10-21(11-14-42)37-27-9-12-35-28(15-33)40-27/h1-9,12,16,18,21H,10-11,13-14,17H2,(H2,34,41)(H,35,37,40)
InChIKeyLAZXPUVKKDFSDW-UHFFFAOYSA-N
MW603.69 g/mol
LogP5.07
Rot. Bonds7

About 4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile

4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile (PubChem CID 171494878) has the molecular formula C31H26FN11S and a molecular weight of 603.69 g/mol. Its IUPAC name is 4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
PubChem CID171494878
Molecular FormulaC31H26FN11S
Molecular Weight603.69 g/mol
Exact Mass603.21
IUPAC Name4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(NC2CCN(Cc3ccc(-n4c(-c5csnc5N)nc5ccc(-c6ccc(F)cn6)nc54)cc3)CC2)n1
InChIInChI=1S/C31H26FN11S/c32-20-3-6-24(36-16-20)25-7-8-26-31(38-25)43(30(39-26)23-18-44-41-29(23)34)22-4-1-19(2-5-22)17-42-13-10-21(11-14-42)37-27-9-12-35-28(15-33)40-27/h1-9,12,16,18,21H,10-11,13-14,17H2,(H2,34,41)(H,35,37,40)
InChIKeyLAZXPUVKKDFSDW-UHFFFAOYSA-N
XLogP5.07
TPSA147.35 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500603.69
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-[[1-[[4-[5-(5-fluoro-2-pyridinyl)-2-pyrimidin-5-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494853
4-[[1-[[4-[2-(3-amino-4,5-dihydro-1,2-oxazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494956
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-(2-methoxy-4-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171495109
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-(6-methyl-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494871
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-[2-(difluoromethoxy)-4-pyridinyl]imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile;ethane
CID 171494024
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-[2-(cyanomethyl)triazol-4-yl]imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494217
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-(3-cyano-4-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494524
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494026
4-[[1-[[4-[5-(3-aminophenyl)-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171495389
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-6-fluoroimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile;ethane
CID 171495693
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-(trifluoromethoxy)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494049
4-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-(6-propan-2-yl-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171496462

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile?
The IUPAC name of 4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile (CID 171494878) is 4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile is N#Cc1nccc(NC2CCN(Cc3ccc(-n4c(-c5csnc5N)nc5ccc(-c6ccc(F)cn6)nc54)cc3)CC2)n1.
What is the InChIKey of 4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile?
The InChIKey is LAZXPUVKKDFSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN11S/c32-20-3-6-24(36-16-20)25-7-8-26-31(38-25)43(30(39-26)23-18-44-41-29(23)34)22-4-1-19(2-5-22)17-42-13-10-21(11-14-42)37-27-9-12-35-28(15-33)40-27/h1-9,12,16,18,21H,10-11,13-14,17H2,(H2,34,41)(H,35,37,40).
What are the key properties of 4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile?
4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile has a molecular weight of 603.69 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[4-[2-(3-amino-1,2-thiazol-4-yl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile is sourced from PubChem (CID 171494878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).