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

C28H19FN10O — CID 136945277

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

N-[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 136945277) has the molecular formula C28H19FN10O and a molecular weight of 530.53 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
• PubChem CID: 136945277
• Molecular Formula: C28H19FN10O
• Molecular Weight: 530.53 g/mol
• Exact Mass: 530.17
• IUPAC Name: N-[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
• SMILES: Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(NC(=O)c7ccccc7)c6)c(F)c45)nc23)cn1
• InChI: InChI=1S/C28H19FN10O/c1-15-13-39(14-33-15)27-23-20(7-8-31-27)35-26(36-23)24-21-22(29)19(12-32-25(21)38-37-24)17-9-18(11-30-10-17)34-28(40)16-5-3-2-4-6-16/h2-14H,1H3,(H,34,40)(H,35,36)(H,32,37,38)
• InChIKey: UCUQXVKKXRXYNP-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 142.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.53
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 136945277) is N-[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.

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

The canonical SMILES for N-[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5ncc(-c6cncc(NC(=O)c7ccccc7)c6)c(F)c45)nc23)cn1.

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

The InChIKey is UCUQXVKKXRXYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN10O/c1-15-13-39(14-33-15)27-23-20(7-8-31-27)35-26(36-23)24-21-22(29)19(12-32-25(21)38-37-24)17-9-18(11-30-10-17)34-28(40)16-5-3-2-4-6-16/h2-14H,1H3,(H,34,40)(H,35,36)(H,32,37,38).

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

N-[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 530.53 g/mol, XLogP of 4.84, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 136945277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).