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

C36H35N11 — CID 171496462

IUPAC4-[[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
SMILESCC(C)c1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CN5CCC(Nc6ccnc(C#N)n6)CC5)cc4)c3n2)cn1
InChIInChI=1S/C36H35N11/c1-23(2)29-10-7-25(21-41-29)30-11-12-31-36(43-30)47(35(44-31)28-4-3-16-40-34(28)38)27-8-5-24(6-9-27)22-46-18-14-26(15-19-46)42-32-13-17-39-33(20-37)45-32/h3-13,16-17,21,23,26H,14-15,18-19,22H2,1-2H3,(H2,38,40)(H,39,42,45)
InChIKeyYXZDPZNEXOETRE-UHFFFAOYSA-N
MW621.75 g/mol
LogP5.99
Rot. Bonds8

About 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

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 (PubChem CID 171496462) has the molecular formula C36H35N11 and a molecular weight of 621.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID171496462
Molecular FormulaC36H35N11
Molecular Weight621.75 g/mol
Exact Mass621.31
IUPAC Name4-[[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
SMILESCC(C)c1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CN5CCC(Nc6ccnc(C#N)n6)CC5)cc4)c3n2)cn1
InChIInChI=1S/C36H35N11/c1-23(2)29-10-7-25(21-41-29)30-11-12-31-36(43-30)47(35(44-31)28-4-3-16-40-34(28)38)27-8-5-24(6-9-27)22-46-18-14-26(15-19-46)42-32-13-17-39-33(20-37)45-32/h3-13,16-17,21,23,26H,14-15,18-19,22H2,1-2H3,(H2,38,40)(H,39,42,45)
InChIKeyYXZDPZNEXOETRE-UHFFFAOYSA-N
XLogP5.99
TPSA147.35 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500621.75
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-[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)-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-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494026
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-(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-(3-isocyanophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171599510
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-[3-(prop-1-en-2-ylamino)phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile;ethane
CID 171496405
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-(oxolan-3-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494473
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CN5CCC(Nc6ccnc(C#N)n6)CC5)cc4)c3n2)cn1.
What is the InChIKey of 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?
The InChIKey is YXZDPZNEXOETRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N11/c1-23(2)29-10-7-25(21-41-29)30-11-12-31-36(43-30)47(35(44-31)28-4-3-16-40-34(28)38)27-8-5-24(6-9-27)22-46-18-14-26(15-19-46)42-32-13-17-39-33(20-37)45-32/h3-13,16-17,21,23,26H,14-15,18-19,22H2,1-2H3,(H2,38,40)(H,39,42,45).
What are the key properties of 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?
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 has a molecular weight of 621.75 g/mol, XLogP of 5.99, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171496462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).