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

C28H21FN8O — CID 136947570

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

N-[5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 136947570) has the molecular formula C28H21FN8O and a molecular weight of 504.53 g/mol. Its IUPAC name is N-[5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 136947570
• Molecular Formula: C28H21FN8O
• Molecular Weight: 504.53 g/mol
• Exact Mass: 504.18
• IUPAC Name: N-[5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
• SMILES: Cc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C7CC7)c6)cc45)nc23)c1
• InChI: InChI=1S/C28H21FN8O/c1-14-4-16(6-18(29)5-14)21-11-31-12-24-25(21)35-27(34-24)26-20-8-22(32-13-23(20)36-37-26)17-7-19(10-30-9-17)33-28(38)15-2-3-15/h4-13,15H,2-3H2,1H3,(H,33,38)(H,34,35)(H,36,37)
• InChIKey: GSAHYHHFKIGUPQ-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.53
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 136947570) is N-[5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is Cc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C7CC7)c6)cc45)nc23)c1.

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

The InChIKey is GSAHYHHFKIGUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN8O/c1-14-4-16(6-18(29)5-14)21-11-31-12-24-25(21)35-27(34-24)26-20-8-22(32-13-23(20)36-37-26)17-7-19(10-30-9-17)33-28(38)15-2-3-15/h4-13,15H,2-3H2,1H3,(H,33,38)(H,34,35)(H,36,37).

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

N-[5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 504.53 g/mol, XLogP of 5.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 136947570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).