N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide

C30H24FN7O2S — CID 136935894

IUPACN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)C7CCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C30H24FN7O2S/c1-15(39)23-6-7-24(41-23)28-27-22(8-9-33-28)35-29(36-27)26-20-11-17(12-21(31)25(20)37-38-26)18-10-19(14-32-13-18)34-30(40)16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,34,40)(H,35,36)(H,37,38)
InChIKeyIZUZZUJEYPMASE-UHFFFAOYSA-N
MW565.63 g/mol
LogP6.76
Rot. Bonds6

About N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 136935894) has the molecular formula C30H24FN7O2S and a molecular weight of 565.63 g/mol. Its IUPAC name is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
PubChem CID136935894
Molecular FormulaC30H24FN7O2S
Molecular Weight565.63 g/mol
Exact Mass565.17
IUPAC NameN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)C7CCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C30H24FN7O2S/c1-15(39)23-6-7-24(41-23)28-27-22(8-9-33-28)35-29(36-27)26-20-11-17(12-21(31)25(20)37-38-26)18-10-19(14-32-13-18)34-30(40)16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,34,40)(H,35,36)(H,37,38)
InChIKeyIZUZZUJEYPMASE-UHFFFAOYSA-N
XLogP6.76
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.63
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 136935894) is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is CC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)C7CCCC7)c6)cc45)nc23)s1.
What is the InChIKey of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The InChIKey is IZUZZUJEYPMASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN7O2S/c1-15(39)23-6-7-24(41-23)28-27-22(8-9-33-28)35-29(36-27)26-20-11-17(12-21(31)25(20)37-38-26)18-10-19(14-32-13-18)34-30(40)16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,34,40)(H,35,36)(H,37,38).
What are the key properties of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 565.63 g/mol, XLogP of 6.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 136935894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).