1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

C30H27FN8 — CID 136936468

About 1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 136936468) has the molecular formula C30H27FN8 and a molecular weight of 518.60 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
• PubChem CID: 136936468
• Molecular Formula: C30H27FN8
• Molecular Weight: 518.60 g/mol
• Exact Mass: 518.23
• IUPAC Name: 1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
• SMILES: Fc1c(-c2cncc(CNCC3CCCC3)c2)ccc2[nH]nc(-c3nc4c(-c5ccncc5)nccc4[nH]3)c12
• InChI: InChI=1S/C30H27FN8/c31-26-22(21-13-19(16-34-17-21)15-33-14-18-3-1-2-4-18)5-6-23-25(26)29(39-38-23)30-36-24-9-12-35-27(28(24)37-30)20-7-10-32-11-8-20/h5-13,16-18,33H,1-4,14-15H2,(H,36,37)(H,38,39)
• InChIKey: DKOVWTNILMHIHS-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.60
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?

The IUPAC name of 1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (CID 136936468) is 1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.

What is the SMILES notation for 1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?

The canonical SMILES for 1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is Fc1c(-c2cncc(CNCC3CCCC3)c2)ccc2[nH]nc(-c3nc4c(-c5ccncc5)nccc4[nH]3)c12.

What is the InChIKey of 1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?

The InChIKey is DKOVWTNILMHIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN8/c31-26-22(21-13-19(16-34-17-21)15-33-14-18-3-1-2-4-18)5-6-23-25(26)29(39-38-23)30-36-24-9-12-35-27(28(24)37-30)20-7-10-32-11-8-20/h5-13,16-18,33H,1-4,14-15H2,(H,36,37)(H,38,39).

What are the key properties of 1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?

1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 518.60 g/mol, XLogP of 6.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-N-[[5-[4-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 136936468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).