N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide

C26H22FN5O4 — CID 142582893

IUPACN-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@@H]1CNC[C@H]1NC(=O)c1ccc2[nH]ncc2c1)c1ccc(C(=O)c2c(O)cccc2F)cc1
InChIInChI=1S/C26H22FN5O4/c27-18-2-1-3-22(33)23(18)24(34)14-4-6-15(7-5-14)25(35)30-20-12-28-13-21(20)31-26(36)16-8-9-19-17(10-16)11-29-32-19/h1-11,20-21,28,33H,12-13H2,(H,29,32)(H,30,35)(H,31,36)/t20-,21-/m1/s1
InChIKeyYZJGRXPOLNSPTI-NHCUHLMSSA-N
MW487.49 g/mol
LogP2.14
Rot. Bonds6

About N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide

N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide (PubChem CID 142582893) has the molecular formula C26H22FN5O4 and a molecular weight of 487.49 g/mol. Its IUPAC name is N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide
PubChem CID142582893
Molecular FormulaC26H22FN5O4
Molecular Weight487.49 g/mol
Exact Mass487.17
IUPAC NameN-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide
SMILESO=C(N[C@@H]1CNC[C@H]1NC(=O)c1ccc2[nH]ncc2c1)c1ccc(C(=O)c2c(O)cccc2F)cc1
InChIInChI=1S/C26H22FN5O4/c27-18-2-1-3-22(33)23(18)24(34)14-4-6-15(7-5-14)25(35)30-20-12-28-13-21(20)31-26(36)16-8-9-19-17(10-16)11-29-32-19/h1-11,20-21,28,33H,12-13H2,(H,29,32)(H,30,35)(H,31,36)/t20-,21-/m1/s1
InChIKeyYZJGRXPOLNSPTI-NHCUHLMSSA-N
XLogP2.14
TPSA136.21 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 52.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3R,4R)-4-[[4-(2-fluoro-3-methoxy-6-propoxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide
CID 122483505
N-[(3R,4R)-4-[[4-(2-fluoro-3-(111C)methoxy-6-propoxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide
CID 137321957
N-[(3R,4R)-4-[[4-[2,3-difluoro-6-[2-(2-propoxyethoxy)ethoxy]benzoyl]benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-6-carboxamide
CID 122512730
N-[(3R,4R)-4-[[4-[2,3-difluoro-6-[2-(2-hydroxyethoxy)ethoxy]benzoyl]benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-6-carboxamide;hydrochloride
CID 91755048
N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide
CID 154862895
4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 60810348
N-(2-piperidin-4-ylethyl)-1H-indazole-5-carboxamide
CID 22934092
N-(3-methylcyclopentyl)-1H-indazole-5-carboxamide
CID 114550169
3-(1H-indazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030707
N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571
N-[(3R,4R)-4-[[4-[3-ethenyl-2-fluoro-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl]benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-6-carboxamide
CID 122512747
N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 22933507

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide (CID 142582893) is N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide is O=C(N[C@@H]1CNC[C@H]1NC(=O)c1ccc2[nH]ncc2c1)c1ccc(C(=O)c2c(O)cccc2F)cc1.
What is the InChIKey of N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is YZJGRXPOLNSPTI-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H22FN5O4/c27-18-2-1-3-22(33)23(18)24(34)14-4-6-15(7-5-14)25(35)30-20-12-28-13-21(20)31-26(36)16-8-9-19-17(10-16)11-29-32-19/h1-11,20-21,28,33H,12-13H2,(H,29,32)(H,30,35)(H,31,36)/t20-,21-/m1/s1.
What are the key properties of N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide?
N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide has a molecular weight of 487.49 g/mol, XLogP of 2.14, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-[[4-(2-fluoro-6-hydroxybenzoyl)benzoyl]amino]pyrrolidin-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 142582893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).