1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide

C26H21FN4O3 — CID 10161432

IUPAC1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCc1c(O)cccc1C(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(F)cc1)CC2
InChIInChI=1S/C26H21FN4O3/c1-14-19(3-2-4-22(14)32)26(34)29-17-9-5-15-6-12-20-23(25(28)33)30-31(24(20)21(15)13-17)18-10-7-16(27)8-11-18/h2-5,7-11,13,32H,6,12H2,1H3,(H2,28,33)(H,29,34)
InChIKeyKUXMUYGNXXOEID-UHFFFAOYSA-N
MW456.48 g/mol
LogP4.14
Rot. Bonds4

About 1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide

1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10161432) has the molecular formula C26H21FN4O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10161432
Molecular FormulaC26H21FN4O3
Molecular Weight456.48 g/mol
Exact Mass456.16
IUPAC Name1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESCc1c(O)cccc1C(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(F)cc1)CC2
InChIInChI=1S/C26H21FN4O3/c1-14-19(3-2-4-22(14)32)26(34)29-17-9-5-15-6-12-20-23(25(28)33)30-31(24(20)21(15)13-17)18-10-7-16(27)8-11-18/h2-5,7-11,13,32H,6,12H2,1H3,(H2,28,33)(H,29,34)
InChIKeyKUXMUYGNXXOEID-UHFFFAOYSA-N
XLogP4.14
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide 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 1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10161432) is 1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide is Cc1c(O)cccc1C(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(F)cc1)CC2.
What is the InChIKey of 1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is KUXMUYGNXXOEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3/c1-14-19(3-2-4-22(14)32)26(34)29-17-9-5-15-6-12-20-23(25(28)33)30-31(24(20)21(15)13-17)18-10-7-16(27)8-11-18/h2-5,7-11,13,32H,6,12H2,1H3,(H2,28,33)(H,29,34).
What are the key properties of 1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10161432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).