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

C19H18FN5O2 — CID 71706051

IUPAC1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccncc1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C19H18FN5O2/c20-14-2-1-3-15-17(14)18(24-23-15)25-11-13(10-16(25)26)19(27)22-9-6-12-4-7-21-8-5-12/h1-5,7-8,13H,6,9-11H2,(H,22,27)(H,23,24)
InChIKeyIUWDVTQGQZLDFU-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.81
Rot. Bonds5

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

1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 71706051) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
PubChem CID71706051
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccncc1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C19H18FN5O2/c20-14-2-1-3-15-17(14)18(24-23-15)25-11-13(10-16(25)26)19(27)22-9-6-12-4-7-21-8-5-12/h1-5,7-8,13H,6,9-11H2,(H,22,27)(H,23,24)
InChIKeyIUWDVTQGQZLDFU-UHFFFAOYSA-N
XLogP1.81
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.81
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-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (CID 71706051) is 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is O=C(NCCc1ccncc1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is IUWDVTQGQZLDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-14-2-1-3-15-17(14)18(24-23-15)25-11-13(10-16(25)26)19(27)22-9-6-12-4-7-21-8-5-12/h1-5,7-8,13H,6,9-11H2,(H,22,27)(H,23,24).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 1.81, 5 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-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71706051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).