2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide

C17H17FN4O2 — CID 46395190

IUPAC2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1nn(C)c2c(=O)n(CC(=O)NCc3ccccc3F)ccc12
InChIInChI=1S/C17H17FN4O2/c1-11-13-7-8-22(17(24)16(13)21(2)20-11)10-15(23)19-9-12-5-3-4-6-14(12)18/h3-8H,9-10H2,1-2H3,(H,19,23)
InChIKeyWUYCSRQDGZXLCT-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.50
Rot. Bonds4

About 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide

2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 46395190) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID46395190
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1nn(C)c2c(=O)n(CC(=O)NCc3ccccc3F)ccc12
InChIInChI=1S/C17H17FN4O2/c1-11-13-7-8-22(17(24)16(13)21(2)20-11)10-15(23)19-9-12-5-3-4-6-14(12)18/h3-8H,9-10H2,1-2H3,(H,19,23)
InChIKeyWUYCSRQDGZXLCT-UHFFFAOYSA-N
XLogP1.50
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 46395190) is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide is Cc1nn(C)c2c(=O)n(CC(=O)NCc3ccccc3F)ccc12.
What is the InChIKey of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is WUYCSRQDGZXLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-11-13-7-8-22(17(24)16(13)21(2)20-11)10-15(23)19-9-12-5-3-4-6-14(12)18/h3-8H,9-10H2,1-2H3,(H,19,23).
What are the key properties of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 328.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 46395190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).