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

C28H24FN9O — CID 136946841

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

N-[5-[4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 136946841) has the molecular formula C28H24FN9O and a molecular weight of 521.56 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
• PubChem CID: 136946841
• Molecular Formula: C28H24FN9O
• Molecular Weight: 521.56 g/mol
• Exact Mass: 521.21
• IUPAC Name: N-[5-[4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C28H24FN9O/c1-28(2,3)9-21(39)34-17-8-16(10-31-11-17)24-23(29)22-19(14-33-24)37-38-26(22)27-35-20-13-32-12-18(25(20)36-27)15-4-6-30-7-5-15/h4-8,10-14H,9H2,1-3H3,(H,34,39)(H,35,36)(H,37,38)
• InChIKey: XXXYXGWCBURVSR-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 138.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.56
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide (CID 136946841) is N-[5-[4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide.

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

The canonical SMILES for N-[5-[4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccncc6)cncc5[nH]4)c3c2F)c1.

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

The InChIKey is XXXYXGWCBURVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN9O/c1-28(2,3)9-21(39)34-17-8-16(10-31-11-17)24-23(29)22-19(14-33-24)37-38-26(22)27-35-20-13-32-12-18(25(20)36-27)15-4-6-30-7-5-15/h4-8,10-14H,9H2,1-3H3,(H,34,39)(H,35,36)(H,37,38).

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

N-[5-[4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 521.56 g/mol, XLogP of 5.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 136946841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).