1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

C29H26FN7O — CID 137134971

About 1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137134971) has the molecular formula C29H26FN7O and a molecular weight of 507.57 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
• PubChem CID: 137134971
• Molecular Formula: C29H26FN7O
• Molecular Weight: 507.57 g/mol
• Exact Mass: 507.22
• IUPAC Name: 1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
• SMILES: Fc1cc2[nH]nc(-c3nc4nccc(-c5ccoc5)c4[nH]3)c2cc1-c1cncc(CNCC2CCCC2)c1
• InChI: InChI=1S/C29H26FN7O/c30-24-11-25-23(10-22(24)20-9-18(14-32-15-20)13-31-12-17-3-1-2-4-17)27(37-36-25)29-34-26-21(19-6-8-38-16-19)5-7-33-28(26)35-29/h5-11,14-17,31H,1-4,12-13H2,(H,36,37)(H,33,34,35)
• InChIKey: JBZHFSIFJRKJKB-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 108.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.57
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?

The IUPAC name of 1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (CID 137134971) is 1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.

What is the SMILES notation for 1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?

The canonical SMILES for 1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is Fc1cc2[nH]nc(-c3nc4nccc(-c5ccoc5)c4[nH]3)c2cc1-c1cncc(CNCC2CCCC2)c1.

What is the InChIKey of 1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?

The InChIKey is JBZHFSIFJRKJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7O/c30-24-11-25-23(10-22(24)20-9-18(14-32-15-20)13-31-12-17-3-1-2-4-17)27(37-36-25)29-34-26-21(19-6-8-38-16-19)5-7-33-28(26)35-29/h5-11,14-17,31H,1-4,12-13H2,(H,36,37)(H,33,34,35).

What are the key properties of 1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?

1-cyclopentyl-N-[[5-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 507.57 g/mol, XLogP of 6.24, 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-[6-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137134971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).