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

C30H20FN7OS — CID 136935791

IUPACN-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H20FN7OS/c31-23-13-19(20-11-21(15-32-14-20)34-25(39)10-17-4-2-1-3-5-17)12-22-27(23)37-38-28(22)30-35-24-6-8-33-26(29(24)36-30)18-7-9-40-16-18/h1-9,11-16H,10H2,(H,34,39)(H,35,36)(H,37,38)
InChIKeyUVIHOAVSBGYVHP-UHFFFAOYSA-N
MW545.60 g/mol
LogP6.61
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]-2-phenylacetamide

N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 136935791) has the molecular formula C30H20FN7OS and a molecular weight of 545.60 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]-2-phenylacetamide.

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]-2-phenylacetamide
PubChem CID136935791
Molecular FormulaC30H20FN7OS
Molecular Weight545.60 g/mol
Exact Mass545.14
IUPAC NameN-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H20FN7OS/c31-23-13-19(20-11-21(15-32-14-20)34-25(39)10-17-4-2-1-3-5-17)12-22-27(23)37-38-28(22)30-35-24-6-8-33-26(29(24)36-30)18-7-9-40-16-18/h1-9,11-16H,10H2,(H,34,39)(H,35,36)(H,37,38)
InChIKeyUVIHOAVSBGYVHP-UHFFFAOYSA-N
XLogP6.61
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.60
LogP ≤ 56.61
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]-2-phenylacetamide?
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]-2-phenylacetamide (CID 136935791) is N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.
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]-2-phenylacetamide?
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]-2-phenylacetamide is O=C(Cc1ccccc1)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]-2-phenylacetamide?
The InChIKey is UVIHOAVSBGYVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FN7OS/c31-23-13-19(20-11-21(15-32-14-20)34-25(39)10-17-4-2-1-3-5-17)12-22-27(23)37-38-28(22)30-35-24-6-8-33-26(29(24)36-30)18-7-9-40-16-18/h1-9,11-16H,10H2,(H,34,39)(H,35,36)(H,37,38).
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]-2-phenylacetamide?
N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 545.60 g/mol, XLogP of 6.61, 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]-2-phenylacetamide is sourced from PubChem (CID 136935791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).