N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide

C26H22N10O — CID 137055581

About N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 137055581) has the molecular formula C26H22N10O and a molecular weight of 490.53 g/mol. Its IUPAC name is N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• PubChem CID: 137055581
• Molecular Formula: C26H22N10O
• Molecular Weight: 490.53 g/mol
• Exact Mass: 490.20
• IUPAC Name: N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
• SMILES: Cc1cn(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(NC(=O)C7CCC7)c6)cc45)[nH]c23)cn1
• InChI: InChI=1S/C26H22N10O/c1-14-12-36(13-30-14)21-5-6-28-24-23(21)32-25(33-24)22-18-8-19(29-11-20(18)34-35-22)16-7-17(10-27-9-16)31-26(37)15-3-2-4-15/h5-13,15H,2-4H2,1H3,(H,31,37)(H,34,35)(H,28,32,33)
• InChIKey: GFIQYAQKTLTJLY-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 142.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.53
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The IUPAC name of N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 137055581) is N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

What is the SMILES notation for N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The canonical SMILES for N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is Cc1cn(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(NC(=O)C7CCC7)c6)cc45)[nH]c23)cn1.

What is the InChIKey of N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

The InChIKey is GFIQYAQKTLTJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N10O/c1-14-12-36(13-30-14)21-5-6-28-24-23(21)32-25(33-24)22-18-8-19(29-11-20(18)34-35-22)16-7-17(10-27-9-16)31-26(37)15-3-2-4-15/h5-13,15H,2-4H2,1H3,(H,31,37)(H,34,35)(H,28,32,33).

What are the key properties of N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide?

N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 490.53 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 137055581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).