1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C18H16FN5O2 — CID 71701395

IUPAC1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccncc1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C18H16FN5O2/c19-13-2-1-3-14-16(13)17(23-22-14)24-10-12(8-15(24)25)18(26)21-9-11-4-6-20-7-5-11/h1-7,12H,8-10H2,(H,21,26)(H,22,23)
InChIKeyJJOBUSXGDRKRPR-UHFFFAOYSA-N
MW353.36 g/mol
LogP1.77
Rot. Bonds4

About 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 71701395) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID71701395
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccncc1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C18H16FN5O2/c19-13-2-1-3-14-16(13)17(23-22-14)24-10-12(8-15(24)25)18(26)21-9-11-4-6-20-7-5-11/h1-7,12H,8-10H2,(H,21,26)(H,22,23)
InChIKeyJJOBUSXGDRKRPR-UHFFFAOYSA-N
XLogP1.77
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 71701395) is 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccncc1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is JJOBUSXGDRKRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-13-2-1-3-14-16(13)17(23-22-14)24-10-12(8-15(24)25)18(26)21-9-11-4-6-20-7-5-11/h1-7,12H,8-10H2,(H,21,26)(H,22,23).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71701395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).