cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol

C26H22FN9O — CID 137284259

About cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol

cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol (PubChem CID 137284259) has the molecular formula C26H22FN9O and a molecular weight of 495.52 g/mol. Its IUPAC name is cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol.

Molecular Properties

• Compound Name: cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol
• PubChem CID: 137284259
• Molecular Formula: C26H22FN9O
• Molecular Weight: 495.52 g/mol
• Exact Mass: 495.19
• IUPAC Name: cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol
• SMILES: Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(O)C7CC7)c6)c(F)c45)nc23)cn1
• InChI: InChI=1S/C26H22FN9O/c1-13-11-36(12-30-13)25-22-19(6-7-29-25)32-24(33-22)23-20-18(34-35-23)5-4-17(21(20)27)15-8-16(10-28-9-15)31-26(37)14-2-3-14/h4-12,14,26,31,37H,2-3H2,1H3,(H,32,33)(H,34,35)
• InChIKey: BLDJGISPNKLLSK-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 133.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.52
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?

The IUPAC name of cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol (CID 137284259) is cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol.

What is the SMILES notation for cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?

The canonical SMILES for cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol is Cc1cn(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(O)C7CC7)c6)c(F)c45)nc23)cn1.

What is the InChIKey of cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?

The InChIKey is BLDJGISPNKLLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN9O/c1-13-11-36(12-30-13)25-22-19(6-7-29-25)32-24(33-22)23-20-18(34-35-23)5-4-17(21(20)27)15-8-16(10-28-9-15)31-26(37)14-2-3-14/h4-12,14,26,31,37H,2-3H2,1H3,(H,32,33)(H,34,35).

What are the key properties of cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol?

cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol has a molecular weight of 495.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[[5-[4-fluoro-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]methanol is sourced from PubChem (CID 137284259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).