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

C32H35N11O — CID 171494826

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

2-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]-4,5-dihydropyrimidine-6-carbonitrile (PubChem CID 171494826) has the molecular formula C32H35N11O and a molecular weight of 589.71 g/mol. Its IUPAC name is 2-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]-4,5-dihydropyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 2-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]-4,5-dihydropyrimidine-6-carbonitrile
• PubChem CID: 171494826
• Molecular Formula: C32H35N11O
• Molecular Weight: 589.71 g/mol
• Exact Mass: 589.30
• IUPAC Name: 2-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]-4,5-dihydropyrimidine-6-carbonitrile
• SMILES: N#CC1=NC(NC2CCN(Cc3ccc(-n4c(-c5cccnc5N)nc5ccc(N6CCOCC6)nc54)cc3)CC2)=NCC1
• InChI: InChI=1S/C32H35N11O/c33-20-24-9-13-36-32(38-24)37-23-10-14-41(15-11-23)21-22-3-5-25(6-4-22)43-30(26-2-1-12-35-29(26)34)39-27-7-8-28(40-31(27)43)42-16-18-44-19-17-42/h1-8,12,23H,9-11,13-19,21H2,(H2,34,35)(H,36,37)
• InChIKey: UZHUESZFEBDLEN-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 145.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.71
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 2-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]-4,5-dihydropyrimidine-6-carbonitrile (CID 171494826) is 2-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]-4,5-dihydropyrimidine-6-carbonitrile.

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

The canonical SMILES for 2-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]-4,5-dihydropyrimidine-6-carbonitrile is N#CC1=NC(NC2CCN(Cc3ccc(-n4c(-c5cccnc5N)nc5ccc(N6CCOCC6)nc54)cc3)CC2)=NCC1.

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

The InChIKey is UZHUESZFEBDLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N11O/c33-20-24-9-13-36-32(38-24)37-23-10-14-41(15-11-23)21-22-3-5-25(6-4-22)43-30(26-2-1-12-35-29(26)34)39-27-7-8-28(40-31(27)43)42-16-18-44-19-17-42/h1-8,12,23H,9-11,13-19,21H2,(H2,34,35)(H,36,37).

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

2-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]-4,5-dihydropyrimidine-6-carbonitrile has a molecular weight of 589.71 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[[4-[2-(2-amino-3-pyridinyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]amino]-4,5-dihydropyrimidine-6-carbonitrile is sourced from PubChem (CID 171494826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).