1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C21H21FN4O2 — CID 71827888

IUPAC1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1
InChIInChI=1S/C21H21FN4O2/c1-12(2)13-6-8-15(9-7-13)23-21(28)14-10-18(27)26(11-14)20-19-16(22)4-3-5-17(19)24-25-20/h3-9,12,14H,10-11H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyNFKFCVDTYIMECP-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.82
Rot. Bonds4

About 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 71827888) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID71827888
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1
InChIInChI=1S/C21H21FN4O2/c1-12(2)13-6-8-15(9-7-13)23-21(28)14-10-18(27)26(11-14)20-19-16(22)4-3-5-17(19)24-25-20/h3-9,12,14H,10-11H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyNFKFCVDTYIMECP-UHFFFAOYSA-N
XLogP3.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754349
(3R)-N-(3-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754399
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 75465635
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 99758678
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 75465898
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
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489292
N-cyclopentyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 71700784
(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754422
(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
N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465842

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 71827888) is 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is NFKFCVDTYIMECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-12(2)13-6-8-15(9-7-13)23-21(28)14-10-18(27)26(11-14)20-19-16(22)4-3-5-17(19)24-25-20/h3-9,12,14H,10-11H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71827888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).