6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile

C31H30N10 — CID 171494097

About 6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile

6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile (PubChem CID 171494097) has the molecular formula C31H30N10 and a molecular weight of 542.65 g/mol. Its IUPAC name is 6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile.

Molecular Properties

• Compound Name: 6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile
• PubChem CID: 171494097
• Molecular Formula: C31H30N10
• Molecular Weight: 542.65 g/mol
• Exact Mass: 542.27
• IUPAC Name: 6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile
• SMILES: N#Cc1cc(NC2CCN(Cc3ccc(-n4c(-c5cccnc5N)nc5ccc(C6CC6)nc54)cc3)CC2)ncn1
• InChI: InChI=1S/C31H30N10/c32-17-23-16-28(36-19-35-23)37-22-11-14-40(15-12-22)18-20-3-7-24(8-4-20)41-30(25-2-1-13-34-29(25)33)39-27-10-9-26(21-5-6-21)38-31(27)41/h1-4,7-10,13,16,19,21-22H,5-6,11-12,14-15,18H2,(H2,33,34)(H,35,36,37)
• InChIKey: FOIZRUWWVLIYIV-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 134.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.65
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile?

The IUPAC name of 6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile (CID 171494097) is 6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile.

What is the SMILES notation for 6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile?

The canonical SMILES for 6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile is N#Cc1cc(NC2CCN(Cc3ccc(-n4c(-c5cccnc5N)nc5ccc(C6CC6)nc54)cc3)CC2)ncn1.

What is the InChIKey of 6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile?

The InChIKey is FOIZRUWWVLIYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N10/c32-17-23-16-28(36-19-35-23)37-22-11-14-40(15-12-22)18-20-3-7-24(8-4-20)41-30(25-2-1-13-34-29(25)33)39-27-10-9-26(21-5-6-21)38-31(27)41/h1-4,7-10,13,16,19,21-22H,5-6,11-12,14-15,18H2,(H2,33,34)(H,35,36,37).

What are the key properties of 6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile?

6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile has a molecular weight of 542.65 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-cyclopropylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 171494097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).