4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile

C23H17N9 — CID 171495410

IUPAC4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(NCc2ccc(-n3c(-c4cccnc4N)nc4cccnc43)cc2)n1
InChIInChI=1S/C23H17N9/c24-13-20-26-12-9-19(31-20)29-14-15-5-7-16(8-6-15)32-22(17-3-1-10-27-21(17)25)30-18-4-2-11-28-23(18)32/h1-12H,14H2,(H2,25,27)(H,26,29,31)
InChIKeySMQIBXIOVOJWOG-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.34
Rot. Bonds5

About 4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile

4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile (PubChem CID 171495410) has the molecular formula C23H17N9 and a molecular weight of 419.45 g/mol. Its IUPAC name is 4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile
PubChem CID171495410
Molecular FormulaC23H17N9
Molecular Weight419.45 g/mol
Exact Mass419.16
IUPAC Name4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(NCc2ccc(-n3c(-c4cccnc4N)nc4cccnc43)cc2)n1
InChIInChI=1S/C23H17N9/c24-13-20-26-12-9-19(31-20)29-14-15-5-7-16(8-6-15)32-22(17-3-1-10-27-21(17)25)30-18-4-2-11-28-23(18)32/h1-12H,14H2,(H2,25,27)(H,26,29,31)
InChIKeySMQIBXIOVOJWOG-UHFFFAOYSA-N
XLogP3.34
TPSA131.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile with MolForge

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Related Compounds

4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
CID 171494877
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-cyanopyridine-2-carboxamide
CID 171494297
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
6-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyridazine-4-carbonitrile
CID 171496011
3-[3-(4-propylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 170204603
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-(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-(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-(trifluoromethoxy)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 171494049
lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
CID 58345222
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide
CID 58345214

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile?
The IUPAC name of 4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile (CID 171495410) is 4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile is N#Cc1nccc(NCc2ccc(-n3c(-c4cccnc4N)nc4cccnc43)cc2)n1.
What is the InChIKey of 4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile?
The InChIKey is SMQIBXIOVOJWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N9/c24-13-20-26-12-9-19(31-20)29-14-15-5-7-16(8-6-15)32-22(17-3-1-10-27-21(17)25)30-18-4-2-11-28-23(18)32/h1-12H,14H2,(H2,25,27)(H,26,29,31).
What are the key properties of 4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile?
4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile has a molecular weight of 419.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile is sourced from PubChem (CID 171495410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).