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

C26H20FN7OS — CID 136935756

IUPACN-[5-[7-fluoro-3-(4-thiophen-3-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(-c6ccsc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C26H20FN7OS/c1-2-3-21(35)30-17-8-16(11-28-12-17)15-9-18-23(19(27)10-15)33-34-24(18)26-31-20-4-6-29-22(25(20)32-26)14-5-7-36-13-14/h4-13H,2-3H2,1H3,(H,30,35)(H,31,32)(H,33,34)
InChIKeyHXGHUEBXZTZWMO-UHFFFAOYSA-N
MW497.56 g/mol
LogP6.17
Rot. Bonds6

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

N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide (PubChem CID 136935756) 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-3-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-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide
PubChem CID136935756
Molecular FormulaC26H20FN7OS
Molecular Weight497.56 g/mol
Exact Mass497.14
IUPAC NameN-[5-[7-fluoro-3-(4-thiophen-3-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(-c6ccsc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C26H20FN7OS/c1-2-3-21(35)30-17-8-16(11-28-12-17)15-9-18-23(19(27)10-15)33-34-24(18)26-31-20-4-6-29-22(25(20)32-26)14-5-7-36-13-14/h4-13H,2-3H2,1H3,(H,30,35)(H,31,32)(H,33,34)
InChIKeyHXGHUEBXZTZWMO-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-3-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-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide (CID 136935756) is N-[5-[7-fluoro-3-(4-thiophen-3-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-3-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-3-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(-c6ccsc6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide?
The InChIKey is HXGHUEBXZTZWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7OS/c1-2-3-21(35)30-17-8-16(11-28-12-17)15-9-18-23(19(27)10-15)33-34-24(18)26-31-20-4-6-29-22(25(20)32-26)14-5-7-36-13-14/h4-13H,2-3H2,1H3,(H,30,35)(H,31,32)(H,33,34).
What are the key properties of N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide?
N-[5-[7-fluoro-3-(4-thiophen-3-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-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 136935756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).