3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C20H25FN4O — CID 121443444

IUPAC3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(C4CCCC4)n[nH]c3CC2C)ccc1F
InChIInChI=1S/C20H25FN4O/c1-12-9-15(7-8-17(12)21)22-20(26)25-11-16-18(10-13(25)2)23-24-19(16)14-5-3-4-6-14/h7-9,13-14H,3-6,10-11H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyBYDMESQEMDTIEF-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.49
Rot. Bonds2

About 3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121443444) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121443444
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(C4CCCC4)n[nH]c3CC2C)ccc1F
InChIInChI=1S/C20H25FN4O/c1-12-9-15(7-8-17(12)21)22-20(26)25-11-16-18(10-13(25)2)23-24-19(16)14-5-3-4-6-14/h7-9,13-14H,3-6,10-11H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyBYDMESQEMDTIEF-UHFFFAOYSA-N
XLogP4.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121443444) is 3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cc(NC(=O)N2Cc3c(C4CCCC4)n[nH]c3CC2C)ccc1F.
What is the InChIKey of 3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is BYDMESQEMDTIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-12-9-15(7-8-17(12)21)22-20(26)25-11-16-18(10-13(25)2)23-24-19(16)14-5-3-4-6-14/h7-9,13-14H,3-6,10-11H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(4-fluoro-3-methylphenyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121443444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).