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

C26H20FN7OS — CID 136935815

IUPACN-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6cccs6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C26H20FN7OS/c1-2-4-21(35)30-16-9-15(12-28-13-16)14-10-17-22(18(27)11-14)33-34-23(17)26-31-19-6-7-29-25(24(19)32-26)20-5-3-8-36-20/h3,5-13H,2,4H2,1H3,(H,30,35)(H,31,32)(H,33,34)
InChIKeyWGMDHRWAHGNVGE-UHFFFAOYSA-N
MW497.56 g/mol
LogP6.17
Rot. Bonds6

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

N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide (PubChem CID 136935815) has the molecular formula C26H20FN7OS and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide
PubChem CID136935815
Molecular FormulaC26H20FN7OS
Molecular Weight497.56 g/mol
Exact Mass497.14
IUPAC NameN-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6cccs6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C26H20FN7OS/c1-2-4-21(35)30-16-9-15(12-28-13-16)14-10-17-22(18(27)11-14)33-34-23(17)26-31-19-6-7-29-25(24(19)32-26)20-5-3-8-36-20/h3,5-13H,2,4H2,1H3,(H,30,35)(H,31,32)(H,33,34)
InChIKeyWGMDHRWAHGNVGE-UHFFFAOYSA-N
XLogP6.17
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.56
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide?
The IUPAC name of N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide (CID 136935815) is N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide.
What is the SMILES notation for N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide?
The canonical SMILES for N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide is CCCC(=O)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6cccs6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide?
The InChIKey is WGMDHRWAHGNVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7OS/c1-2-4-21(35)30-16-9-15(12-28-13-16)14-10-17-22(18(27)11-14)33-34-23(17)26-31-19-6-7-29-25(24(19)32-26)20-5-3-8-36-20/h3,5-13H,2,4H2,1H3,(H,30,35)(H,31,32)(H,33,34).
What are the key properties of N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide?
N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide has a molecular weight of 497.56 g/mol, XLogP of 6.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 136935815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).