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

C32H29N11O — CID 171496334

About 4-[[1-[[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-methyl-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-oxazol-4-yl)-5-(5-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile (PubChem CID 171496334) has the molecular formula C32H29N11O and a molecular weight of 583.66 g/mol. Its IUPAC name is 4-[[1-[[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-[[1-[[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
• PubChem CID: 171496334
• Molecular Formula: C32H29N11O
• Molecular Weight: 583.66 g/mol
• Exact Mass: 583.26
• IUPAC Name: 4-[[1-[[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
• SMILES: Cc1ccc(-c2ccc3nc(-c4conc4N)n(-c4ccc(CN5CCC(Nc6ccnc(C#N)n6)CC5)cc4)c3n2)nc1
• InChI: InChI=1S/C32H29N11O/c1-20-2-7-25(36-17-20)26-8-9-27-32(38-26)43(31(39-27)24-19-44-41-30(24)34)23-5-3-21(4-6-23)18-42-14-11-22(12-15-42)37-28-10-13-35-29(16-33)40-28/h2-10,13,17,19,22H,11-12,14-15,18H2,1H3,(H2,34,41)(H,35,37,40)
• InChIKey: SCYVLLTWUBFPPO-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 160.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.66
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-methyl-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-oxazol-4-yl)-5-(5-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile (CID 171496334) is 4-[[1-[[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-methyl-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-oxazol-4-yl)-5-(5-methyl-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-oxazol-4-yl)-5-(5-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile is Cc1ccc(-c2ccc3nc(-c4conc4N)n(-c4ccc(CN5CCC(Nc6ccnc(C#N)n6)CC5)cc4)c3n2)nc1.

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

The InChIKey is SCYVLLTWUBFPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N11O/c1-20-2-7-25(36-17-20)26-8-9-27-32(38-26)43(31(39-27)24-19-44-41-30(24)34)23-5-3-21(4-6-23)18-42-14-11-22(12-15-42)37-28-10-13-35-29(16-33)40-28/h2-10,13,17,19,22H,11-12,14-15,18H2,1H3,(H2,34,41)(H,35,37,40).

What are the key properties of 4-[[1-[[4-[2-(3-amino-1,2-oxazol-4-yl)-5-(5-methyl-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-oxazol-4-yl)-5-(5-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile has a molecular weight of 583.66 g/mol, XLogP of 4.77, 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-oxazol-4-yl)-5-(5-methyl-2-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile is sourced from PubChem (CID 171496334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).