1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C18H16FN5O2 — CID 90489291

IUPAC1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccnc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c1
InChIInChI=1S/C18H16FN5O2/c1-10-5-6-20-14(7-10)21-18(26)11-8-15(25)24(9-11)17-16-12(19)3-2-4-13(16)22-23-17/h2-7,11H,8-9H2,1H3,(H,22,23)(H,20,21,26)
InChIKeyDXAJGMZTTLRFMQ-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.40
Rot. Bonds3

About 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489291) 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)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489291
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccnc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c1
InChIInChI=1S/C18H16FN5O2/c1-10-5-6-20-14(7-10)21-18(26)11-8-15(25)24(9-11)17-16-12(19)3-2-4-13(16)22-23-17/h2-7,11H,8-9H2,1H3,(H,22,23)(H,20,21,26)
InChIKeyDXAJGMZTTLRFMQ-UHFFFAOYSA-N
XLogP2.40
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.40
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)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 90489291) is 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccnc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DXAJGMZTTLRFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-10-5-6-20-14(7-10)21-18(26)11-8-15(25)24(9-11)17-16-12(19)3-2-4-13(16)22-23-17/h2-7,11H,8-9H2,1H3,(H,22,23)(H,20,21,26).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 2.40, 3 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)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).