N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide

C26H27N11O2 — CID 137054256

About N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide

N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide (PubChem CID 137054256) has the molecular formula C26H27N11O2 and a molecular weight of 525.58 g/mol. Its IUPAC name is N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
• PubChem CID: 137054256
• Molecular Formula: C26H27N11O2
• Molecular Weight: 525.58 g/mol
• Exact Mass: 525.23
• IUPAC Name: N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
• SMILES: CN1CCC(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5nc6nccc(C(=O)N(C)N)c6[nH]5)c4c3)c2)CC1
• InChI: InChI=1S/C26H27N11O2/c1-36-7-4-14(5-8-36)25(38)31-17-9-15(11-28-13-17)16-10-19-21(34-35-22(19)30-12-16)24-32-20-18(26(39)37(2)27)3-6-29-23(20)33-24/h3,6,9-14H,4-5,7-8,27H2,1-2H3,(H,31,38)(H,29,32,33)(H,30,34,35)
• InChIKey: XHPNOKJQBPMZNG-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 174.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.58
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide?

The IUPAC name of N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide (CID 137054256) is N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide.

What is the SMILES notation for N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide?

The canonical SMILES for N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5nc6nccc(C(=O)N(C)N)c6[nH]5)c4c3)c2)CC1.

What is the InChIKey of N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide?

The InChIKey is XHPNOKJQBPMZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N11O2/c1-36-7-4-14(5-8-36)25(38)31-17-9-15(11-28-13-17)16-10-19-21(34-35-22(19)30-12-16)24-32-20-18(26(39)37(2)27)3-6-29-23(20)33-24/h3,6,9-14H,4-5,7-8,27H2,1-2H3,(H,31,38)(H,29,32,33)(H,30,34,35).

What are the key properties of N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide?

N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 525.58 g/mol, XLogP of 2.18, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-[amino(methyl)carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 137054256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).