1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one

C21H20FN7O — CID 171767402

About 1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one

1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one (PubChem CID 171767402) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is 1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
• PubChem CID: 171767402
• Molecular Formula: C21H20FN7O
• Molecular Weight: 405.44 g/mol
• Exact Mass: 405.17
• IUPAC Name: 1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
• SMILES: O=c1ccccn1-c1ccc(N[C@H]2CC[C@H](Nc3nc4ncc(F)cc4[nH]3)C2)nc1
• InChI: InChI=1S/C21H20FN7O/c22-13-9-17-20(24-11-13)28-21(27-17)26-15-5-4-14(10-15)25-18-7-6-16(12-23-18)29-8-2-1-3-19(29)30/h1-3,6-9,11-12,14-15H,4-5,10H2,(H,23,25)(H2,24,26,27,28)/t14-,15-/m0/s1
• InChIKey: WWPHFBPDZLCZKI-GJZGRUSLSA-N
• XLogP: 3.09
• TPSA: 100.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.44
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?

The IUPAC name of 1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one (CID 171767402) is 1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one.

What is the SMILES notation for 1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?

The canonical SMILES for 1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one is O=c1ccccn1-c1ccc(N[C@H]2CC[C@H](Nc3nc4ncc(F)cc4[nH]3)C2)nc1.

What is the InChIKey of 1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?

The InChIKey is WWPHFBPDZLCZKI-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H20FN7O/c22-13-9-17-20(24-11-13)28-21(27-17)26-15-5-4-14(10-15)25-18-7-6-16(12-23-18)29-8-2-1-3-19(29)30/h1-3,6-9,11-12,14-15H,4-5,10H2,(H,23,25)(H2,24,26,27,28)/t14-,15-/m0/s1.

What are the key properties of 1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?

1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one has a molecular weight of 405.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[(1S,3S)-3-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 171767402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).