4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide

C28H27FN4O4S — CID 53019231

IUPAC4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
SMILESCOc1cccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(F)cc4)c4ccccc4)nn3C)C2)c1
InChIInChI=1S/C28H27FN4O4S/c1-31-27-15-16-32(38(35,36)24-10-6-9-23(17-24)37-2)18-25(27)26(30-31)19-33(22-7-4-3-5-8-22)28(34)20-11-13-21(29)14-12-20/h3-14,17H,15-16,18-19H2,1-2H3
InChIKeyUTNDXQNYOHTLOP-UHFFFAOYSA-N
MW534.61 g/mol
LogP4.16
Rot. Bonds7

About 4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide

4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide (PubChem CID 53019231) has the molecular formula C28H27FN4O4S and a molecular weight of 534.61 g/mol. Its IUPAC name is 4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
PubChem CID53019231
Molecular FormulaC28H27FN4O4S
Molecular Weight534.61 g/mol
Exact Mass534.17
IUPAC Name4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
SMILESCOc1cccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(F)cc4)c4ccccc4)nn3C)C2)c1
InChIInChI=1S/C28H27FN4O4S/c1-31-27-15-16-32(38(35,36)24-10-6-9-23(17-24)37-2)18-25(27)26(30-31)19-33(22-7-4-3-5-8-22)28(34)20-11-13-21(29)14-12-20/h3-14,17H,15-16,18-19H2,1-2H3
InChIKeyUTNDXQNYOHTLOP-UHFFFAOYSA-N
XLogP4.16
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.61
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide?
The IUPAC name of 4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide (CID 53019231) is 4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide is COc1cccc(S(=O)(=O)N2CCc3c(c(CN(C(=O)c4ccc(F)cc4)c4ccccc4)nn3C)C2)c1.
What is the InChIKey of 4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide?
The InChIKey is UTNDXQNYOHTLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O4S/c1-31-27-15-16-32(38(35,36)24-10-6-9-23(17-24)37-2)18-25(27)26(30-31)19-33(22-7-4-3-5-8-22)28(34)20-11-13-21(29)14-12-20/h3-14,17H,15-16,18-19H2,1-2H3.
What are the key properties of 4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide?
4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide has a molecular weight of 534.61 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[5-(3-methoxyphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide is sourced from PubChem (CID 53019231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).