4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one

C21H21FN4O — CID 138684671

IUPAC4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C1CC1CC1
InChIInChI=1S/C21H21FN4O/c22-15-3-5-16(6-4-15)26-19-8-7-17(10-14(19)12-24-26)25-20(9-13-1-2-13)18(23)11-21(25)27/h3-8,10,12-13,18,20H,1-2,9,11,23H2
InChIKeyWSVUFRCRAWXSTQ-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.40
Rot. Bonds4

About 4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one

4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one (PubChem CID 138684671) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one
PubChem CID138684671
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C1CC1CC1
InChIInChI=1S/C21H21FN4O/c22-15-3-5-16(6-4-15)26-19-8-7-17(10-14(19)12-24-26)25-20(9-13-1-2-13)18(23)11-21(25)27/h3-8,10,12-13,18,20H,1-2,9,11,23H2
InChIKeyWSVUFRCRAWXSTQ-UHFFFAOYSA-N
XLogP3.40
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane
CID 160919178
N-[(2R,3S)-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684660
5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one
CID 166989402
N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide
CID 138725429
(4S,5R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-(methylamino)-5-phenylpyrrolidin-2-one
CID 170105272
1-(4-fluorophenyl)indazol-5-amine
CID 59235727
tert-butyl N-[2-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-3-yl]carbamate
CID 155414134
N-[(2S,3S)-2-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684522
(5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 170105316
N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 138684599
(4R,5S)-4-amino-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 154598046
N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 138684899

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one (CID 138684671) is 4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one is NC1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C1CC1CC1.
What is the InChIKey of 4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one?
The InChIKey is WSVUFRCRAWXSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-15-3-5-16(6-4-15)26-19-8-7-17(10-14(19)12-24-26)25-20(9-13-1-2-13)18(23)11-21(25)27/h3-8,10,12-13,18,20H,1-2,9,11,23H2.
What are the key properties of 4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one?
4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one has a molecular weight of 364.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 138684671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).