[4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone

C25H23N7O2 — CID 89013179

About [4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone

[4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone (PubChem CID 89013179) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is [4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone.

Molecular Properties

• Compound Name: [4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone
• PubChem CID: 89013179
• Molecular Formula: C25H23N7O2
• Molecular Weight: 453.51 g/mol
• Exact Mass: 453.19
• IUPAC Name: [4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone
• SMILES: Nc1ccc(C(=O)c2nc3nc(N4CCC(O)CC4)ccc3[nH]2)cc1-c1cncc2[nH]ccc12
• InChI: InChI=1S/C25H23N7O2/c26-19-2-1-14(11-17(19)18-12-27-13-21-16(18)5-8-28-21)23(34)25-29-20-3-4-22(30-24(20)31-25)32-9-6-15(33)7-10-32/h1-5,8,11-13,15,28,33H,6-7,9-10,26H2,(H,29,30,31)
• InChIKey: JFFKLSJKGACTOM-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 136.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.51
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone?

The IUPAC name of [4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone (CID 89013179) is [4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone.

What is the SMILES notation for [4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone?

The canonical SMILES for [4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone is Nc1ccc(C(=O)c2nc3nc(N4CCC(O)CC4)ccc3[nH]2)cc1-c1cncc2[nH]ccc12.

What is the InChIKey of [4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone?

The InChIKey is JFFKLSJKGACTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c26-19-2-1-14(11-17(19)18-12-27-13-21-16(18)5-8-28-21)23(34)25-29-20-3-4-22(30-24(20)31-25)32-9-6-15(33)7-10-32/h1-5,8,11-13,15,28,33H,6-7,9-10,26H2,(H,29,30,31).

What are the key properties of [4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone?

[4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone has a molecular weight of 453.51 g/mol, XLogP of 3.28, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]-[5-(4-hydroxypiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]methanone is sourced from PubChem (CID 89013179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).