N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide

C27H19FN8O — CID 137134319

About N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 137134319) has the molecular formula C27H19FN8O and a molecular weight of 490.50 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 137134319
• Molecular Formula: C27H19FN8O
• Molecular Weight: 490.50 g/mol
• Exact Mass: 490.17
• IUPAC Name: N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
• SMILES: O=C(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6cccnc6)c5[nH]4)c3c2)c1)C1CC1
• InChI: InChI=1S/C27H19FN8O/c28-21-10-16(17-8-18(13-30-12-17)32-27(37)14-3-4-14)9-20-22(21)35-36-24(20)26-33-23-19(5-7-31-25(23)34-26)15-2-1-6-29-11-15/h1-2,5-14H,3-4H2,(H,32,37)(H,35,36)(H,31,33,34)
• InChIKey: XVQUSUZBAUXLPY-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.50
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 137134319) is N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6cccnc6)c5[nH]4)c3c2)c1)C1CC1.

What is the InChIKey of N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?

The InChIKey is XVQUSUZBAUXLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN8O/c28-21-10-16(17-8-18(13-30-12-17)32-27(37)14-3-4-14)9-20-22(21)35-36-24(20)26-33-23-19(5-7-31-25(23)34-26)15-2-1-6-29-11-15/h1-2,5-14H,3-4H2,(H,32,37)(H,35,36)(H,31,33,34).

What are the key properties of N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide?

N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 490.50 g/mol, XLogP of 5.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 137134319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).