N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide

C26H29N7O2 — CID 134219720

About N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide

N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide (PubChem CID 134219720) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide.

Molecular Properties

• Compound Name: N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide
• PubChem CID: 134219720
• Molecular Formula: C26H29N7O2
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.24
• IUPAC Name: N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide
• SMILES: Cn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3CC(N)CC(NC=O)C3)ccc21
• InChI: InChI=1S/C26H29N7O2/c1-31-22-7-6-18(26(35)32-13-19(27)11-20(14-32)29-15-34)9-21(22)30-25(31)23-10-17-3-2-8-28-24(17)33(23)12-16-4-5-16/h2-3,6-10,15-16,19-20H,4-5,11-14,27H2,1H3,(H,29,34)
• InChIKey: QVINRUICUZBVSY-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 111.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide?

The IUPAC name of N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide (CID 134219720) is N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide.

What is the SMILES notation for N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide?

The canonical SMILES for N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide is Cn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3CC(N)CC(NC=O)C3)ccc21.

What is the InChIKey of N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide?

The InChIKey is QVINRUICUZBVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-31-22-7-6-18(26(35)32-13-19(27)11-20(14-32)29-15-34)9-21(22)30-25(31)23-10-17-3-2-8-28-24(17)33(23)12-16-4-5-16/h2-3,6-10,15-16,19-20H,4-5,11-14,27H2,1H3,(H,29,34).

What are the key properties of N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide?

N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide has a molecular weight of 471.57 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-amino-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]formamide is sourced from PubChem (CID 134219720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).