N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide

C30H27FN6O3 — CID 154598118

IUPACN-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](NC(=O)c3ccn(C)n3)[C@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C30H27FN6O3/c1-18-27(33-29(38)25-14-15-35(2)34-25)28(19-4-11-24(40-3)12-5-19)36(30(18)39)23-10-13-26-20(16-23)17-32-37(26)22-8-6-21(31)7-9-22/h4-18,27-28H,1-3H3,(H,33,38)/t18-,27-,28+/m0/s1
InChIKeyGXQTYBPCZQPQFI-YCTYLWGJSA-N
MW538.58 g/mol
LogP4.43
Rot. Bonds6

About N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide

N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 154598118) has the molecular formula C30H27FN6O3 and a molecular weight of 538.58 g/mol. Its IUPAC name is N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID154598118
Molecular FormulaC30H27FN6O3
Molecular Weight538.58 g/mol
Exact Mass538.21
IUPAC NameN-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](NC(=O)c3ccn(C)n3)[C@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C30H27FN6O3/c1-18-27(33-29(38)25-14-15-35(2)34-25)28(19-4-11-24(40-3)12-5-19)36(30(18)39)23-10-13-26-20(16-23)17-32-37(26)22-8-6-21(31)7-9-22/h4-18,27-28H,1-3H3,(H,33,38)/t18-,27-,28+/m0/s1
InChIKeyGXQTYBPCZQPQFI-YCTYLWGJSA-N
XLogP4.43
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-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

Related Compounds

N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
CID 139209093
2-[4-(benzyloxy)phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]acetamide
CID 11270984
2-(4-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-5-yl]acetamide
CID 11351174
4-(2-fluoro-4-methoxyphenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206298
(R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(4-(2-methyl-2H-indazol-6-yl)phenyl)imidazolidine-2,4-dione
CID 49865224
N-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57394244
(6S)-6-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-one
CID 122600584
N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 134133836
3-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 134147094
3-(4-methoxyphenyl)-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 134150899
1-[(4-Methoxyphenyl)methyl]-3-(1-propylindol-3-yl)pyrazole-5-carbohydrazide
CID 56934717
3-[1-[(4-Methoxyphenyl)methyl]indol-3-yl]-1-propylpyrazole-5-carbohydrazide
CID 56934838

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide (CID 154598118) is N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide is COc1ccc([C@@H]2[C@@H](NC(=O)c3ccn(C)n3)[C@H](C)C(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is GXQTYBPCZQPQFI-YCTYLWGJSA-N. The full InChI is InChI=1S/C30H27FN6O3/c1-18-27(33-29(38)25-14-15-35(2)34-25)28(19-4-11-24(40-3)12-5-19)36(30(18)39)23-10-13-26-20(16-23)17-32-37(26)22-8-6-21(31)7-9-22/h4-18,27-28H,1-3H3,(H,33,38)/t18-,27-,28+/m0/s1.
What are the key properties of N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide?
N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 538.58 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 154598118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).