(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C18H18FN5O2 — CID 97263867

IUPAC(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1cccc1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C18H18FN5O2/c1-23-7-3-4-12(23)9-20-18(26)11-8-15(25)24(10-11)17-16-13(19)5-2-6-14(16)21-22-17/h2-7,11H,8-10H2,1H3,(H,20,26)(H,21,22)/t11-/m1/s1
InChIKeyUBLKPWCCRNKHQU-LLVKDONJSA-N
MW355.37 g/mol
LogP1.71
Rot. Bonds4

About (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97263867) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97263867
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1cccc1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C18H18FN5O2/c1-23-7-3-4-12(23)9-20-18(26)11-8-15(25)24(10-11)17-16-13(19)5-2-6-14(16)21-22-17/h2-7,11H,8-10H2,1H3,(H,20,26)(H,21,22)/t11-/m1/s1
InChIKeyUBLKPWCCRNKHQU-LLVKDONJSA-N
XLogP1.71
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97265093
(3S)-1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97263699
N-butyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465615
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 75465898
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 75465635
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75356859
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97264302
N-cyclopentyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 71700784
(3R)-N-(3-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754399
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489292
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 97263867) is (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cn1cccc1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UBLKPWCCRNKHQU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-23-7-3-4-12(23)9-20-18(26)11-8-15(25)24(10-11)17-16-13(19)5-2-6-14(16)21-22-17/h2-7,11H,8-10H2,1H3,(H,20,26)(H,21,22)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 1.71, 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-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97263867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).