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

C27H24N10 — CID 171494877

IUPAC4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CCN(Cc3ccc(-n4c(-c5cccnc5N)nc5cccnc54)cc3)CC2)n1
InChIInChI=1S/C27H24N10/c28-17-23-30-12-9-24(34-23)36-15-13-35(14-16-36)18-19-5-7-20(8-6-19)37-26(21-3-1-10-31-25(21)29)33-22-4-2-11-32-27(22)37/h1-12H,13-16,18H2,(H2,29,31)
InChIKeyHRZORDPCGWQSPJ-UHFFFAOYSA-N
MW488.56 g/mol
LogP3.05
Rot. Bonds5

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

4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile (PubChem CID 171494877) has the molecular formula C27H24N10 and a molecular weight of 488.56 g/mol. Its IUPAC name is 4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
PubChem CID171494877
Molecular FormulaC27H24N10
Molecular Weight488.56 g/mol
Exact Mass488.22
IUPAC Name4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CCN(Cc3ccc(-n4c(-c5cccnc5N)nc5cccnc54)cc3)CC2)n1
InChIInChI=1S/C27H24N10/c28-17-23-30-12-9-24(34-23)36-15-13-35(14-16-36)18-19-5-7-20(8-6-19)37-26(21-3-1-10-31-25(21)29)33-22-4-2-11-32-27(22)37/h1-12H,13-16,18H2,(H2,29,31)
InChIKeyHRZORDPCGWQSPJ-UHFFFAOYSA-N
XLogP3.05
TPSA125.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[4-[[4-[2-(2-amino-3-pyridinyl)-5-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
CID 171495160
4-[4-[[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
CID 171495450
4-[4-[[4-[2-(2-amino-3-pyridinyl)-5-(4-isocyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile
CID 171599509
3-[3-[4-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171069116
4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methylamino]pyrimidine-2-carbonitrile
CID 171495410
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-[[4-[[4-[2-(2-amino-3-pyridinyl)-5-(4-cyano-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]methyl]pyrimidine-2-carbonitrile
CID 171599360
4-[8-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidine-2-carbonitrile
CID 171495005
4-[6-[[4-[2-(2-amino-3-pyridinyl)-5-[(2E,4Z)-hexa-2,4-dien-3-yl]imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyrimidine-2-carbonitrile
CID 171495954
2-[2-(2-amino-3-pyridinyl)-3-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-b]pyridin-5-yl]benzonitrile
CID 174235830
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-[(3S)-4-[[4-[2-(2-amino-3-pyridinyl)-5-(5-fluoro-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-(trifluoromethyl)piperazin-1-yl]pyrimidine-2-carbonitrile
CID 177316819

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile?
The IUPAC name of 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) is 4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile is N#Cc1nccc(N2CCN(Cc3ccc(-n4c(-c5cccnc5N)nc5cccnc54)cc3)CC2)n1.
What is the InChIKey of 4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile?
The InChIKey is HRZORDPCGWQSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N10/c28-17-23-30-12-9-24(34-23)36-15-13-35(14-16-36)18-19-5-7-20(8-6-19)37-26(21-3-1-10-31-25(21)29)33-22-4-2-11-32-27(22)37/h1-12H,13-16,18H2,(H2,29,31).
What are the key properties of 4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile?
4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile has a molecular weight of 488.56 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperazin-1-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 171494877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).