N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

C29H25FN8OS — CID 145035648

About N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 145035648) has the molecular formula C29H25FN8OS and a molecular weight of 552.64 g/mol. Its IUPAC name is N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• PubChem CID: 145035648
• Molecular Formula: C29H25FN8OS
• Molecular Weight: 552.64 g/mol
• Exact Mass: 552.19
• IUPAC Name: N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
• SMILES: Cc1ccc(C2=CC=NCc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C7CCCC7)c6)c(F)c45)nc32)s1
• InChI: InChI=1S/C29H25FN8OS/c1-15-6-7-22(40-15)19-8-9-31-13-21-26(19)36-28(35-21)27-23-20(37-38-27)14-33-25(24(23)30)17-10-18(12-32-11-17)34-29(39)16-4-2-3-5-16/h6-12,14,16H,2-5,13H2,1H3,(H,34,39)(H,35,36)(H,37,38)
• InChIKey: KJCIVHQJOYFFIZ-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 124.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.64
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The IUPAC name of N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 145035648) is N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The canonical SMILES for N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is Cc1ccc(C2=CC=NCc3[nH]c(-c4n[nH]c5cnc(-c6cncc(NC(=O)C7CCCC7)c6)c(F)c45)nc32)s1.

What is the InChIKey of N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

The InChIKey is KJCIVHQJOYFFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN8OS/c1-15-6-7-22(40-15)19-8-9-31-13-21-26(19)36-28(35-21)27-23-20(37-38-27)14-33-25(24(23)30)17-10-18(12-32-11-17)34-29(39)16-4-2-3-5-16/h6-12,14,16H,2-5,13H2,1H3,(H,34,39)(H,35,36)(H,37,38).

What are the key properties of N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?

N-[5-[4-fluoro-3-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 552.64 g/mol, XLogP of 6.06, 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-[8-(5-methylthiophen-2-yl)-3,4-dihydroimidazo[4,5-c]azepin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 145035648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).