1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C18H17N5O2 — CID 90489250

IUPAC1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)N(c3n[nH]c4ccccc34)C2)n1
InChIInChI=1S/C18H17N5O2/c1-11-5-4-8-15(19-11)20-18(25)12-9-16(24)23(10-12)17-13-6-2-3-7-14(13)21-22-17/h2-8,12H,9-10H2,1H3,(H,21,22)(H,19,20,25)
InChIKeyJIGUEKPMLCIFFK-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.26
Rot. Bonds3

About 1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489250) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489250
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CC(=O)N(c3n[nH]c4ccccc34)C2)n1
InChIInChI=1S/C18H17N5O2/c1-11-5-4-8-15(19-11)20-18(25)12-9-16(24)23(10-12)17-13-6-2-3-7-14(13)21-22-17/h2-8,12H,9-10H2,1H3,(H,21,22)(H,19,20,25)
InChIKeyJIGUEKPMLCIFFK-UHFFFAOYSA-N
XLogP2.26
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 90489250) is 1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(NC(=O)C2CC(=O)N(c3n[nH]c4ccccc34)C2)n1.
What is the InChIKey of 1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JIGUEKPMLCIFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-5-4-8-15(19-11)20-18(25)12-9-16(24)23(10-12)17-13-6-2-3-7-14(13)21-22-17/h2-8,12H,9-10H2,1H3,(H,21,22)(H,19,20,25).
What are the key properties of 1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).