(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C19H17FN4O3 — CID 99758678

IUPAC(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c1
InChIInChI=1S/C19H17FN4O3/c1-27-13-5-2-4-12(9-13)21-19(26)11-8-16(25)24(10-11)18-17-14(20)6-3-7-15(17)22-23-18/h2-7,9,11H,8,10H2,1H3,(H,21,26)(H,22,23)/t11-/m1/s1
InChIKeyMBCLDPZGASYHSW-LLVKDONJSA-N
MW368.37 g/mol
LogP2.70
Rot. Bonds4

About (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 99758678) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID99758678
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c1
InChIInChI=1S/C19H17FN4O3/c1-27-13-5-2-4-12(9-13)21-19(26)11-8-16(25)24(10-11)18-17-14(20)6-3-7-15(17)22-23-18/h2-7,9,11H,8,10H2,1H3,(H,21,26)(H,22,23)/t11-/m1/s1
InChIKeyMBCLDPZGASYHSW-LLVKDONJSA-N
XLogP2.70
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754399
(3R)-N-(3,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754349
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 71827888
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 75465635
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489292
N-butyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465615
N-cyclopentyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 71700784
methyl 2-[[1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71708577
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754418
1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489294
(3S)-1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97263699
(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754422

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 99758678) is (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c1.
What is the InChIKey of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MBCLDPZGASYHSW-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-27-13-5-2-4-12(9-13)21-19(26)11-8-16(25)24(10-11)18-17-14(20)6-3-7-15(17)22-23-18/h2-7,9,11H,8,10H2,1H3,(H,21,26)(H,22,23)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99758678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).