6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine

C28H35ClN8O — CID 134176933

About 6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine

6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 134176933) has the molecular formula C28H35ClN8O and a molecular weight of 535.10 g/mol. Its IUPAC name is 6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine
• PubChem CID: 134176933
• Molecular Formula: C28H35ClN8O
• Molecular Weight: 535.10 g/mol
• Exact Mass: 534.26
• IUPAC Name: 6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine
• SMILES: Cc1nn(C)c(C)c1CN1CCC(Nc2c(Cl)cnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)CC1
• InChI: InChI=1S/C28H35ClN8O/c1-18-23(19(2)35(3)34-18)17-36-10-8-21(9-11-36)31-25-24(29)16-30-28-26(25)32-27(33-28)20-4-6-22(7-5-20)37-12-14-38-15-13-37/h4-7,16,21H,8-15,17H2,1-3H3,(H2,30,31,32,33)
• InChIKey: QCLYKYCDAKNRBP-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 87.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.10
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine?

The IUPAC name of 6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 134176933) is 6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine?

The canonical SMILES for 6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine is Cc1nn(C)c(C)c1CN1CCC(Nc2c(Cl)cnc3nc(-c4ccc(N5CCOCC5)cc4)[nH]c23)CC1.

What is the InChIKey of 6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine?

The InChIKey is QCLYKYCDAKNRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN8O/c1-18-23(19(2)35(3)34-18)17-36-10-8-21(9-11-36)31-25-24(29)16-30-28-26(25)32-27(33-28)20-4-6-22(7-5-20)37-12-14-38-15-13-37/h4-7,16,21H,8-15,17H2,1-3H3,(H2,30,31,32,33).

What are the key properties of 6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine?

6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 535.10 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(4-morpholin-4-ylphenyl)-N-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134176933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).