N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

C27H21FN8OS — CID 137056587

About N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 137056587) has the molecular formula C27H21FN8OS and a molecular weight of 524.59 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• PubChem CID: 137056587
• Molecular Formula: C27H21FN8OS
• Molecular Weight: 524.59 g/mol
• Exact Mass: 524.15
• IUPAC Name: N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• SMILES: O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3c2F)c1)C1CCCC1
• InChI: InChI=1S/C27H21FN8OS/c28-21-19(16-9-17(11-29-10-16)32-27(37)14-3-1-2-4-14)12-31-24-20(21)23(35-36-24)26-33-22-18(15-6-8-38-13-15)5-7-30-25(22)34-26/h5-14H,1-4H2,(H,32,37)(H,30,33,34)(H,31,35,36)
• InChIKey: QZUBZSWASMDDDM-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 125.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.59
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The IUPAC name of N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 137056587) is N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The canonical SMILES for N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5nccc(-c6ccsc6)c5[nH]4)c3c2F)c1)C1CCCC1.

What is the InChIKey of N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The InChIKey is QZUBZSWASMDDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN8OS/c28-21-19(16-9-17(11-29-10-16)32-27(37)14-3-1-2-4-14)12-31-24-20(21)23(35-36-24)26-33-22-18(15-6-8-38-13-15)5-7-30-25(22)34-26/h5-14H,1-4H2,(H,32,37)(H,30,33,34)(H,31,35,36).

What are the key properties of N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 524.59 g/mol, XLogP of 5.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 137056587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).