N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C19H23FN4O2 — CID 121443458

IUPACN-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(C4CCCO4)n[nH]c3CC2C)ccc1F
InChIInChI=1S/C19H23FN4O2/c1-11-8-13(5-6-15(11)20)21-19(25)24-10-14-16(9-12(24)2)22-23-18(14)17-4-3-7-26-17/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyQRHTYCTYHLKYAK-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.69
Rot. Bonds2

About N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121443458) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121443458
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(C4CCCO4)n[nH]c3CC2C)ccc1F
InChIInChI=1S/C19H23FN4O2/c1-11-8-13(5-6-15(11)20)21-19(25)24-10-14-16(9-12(24)2)22-23-18(14)17-4-3-7-26-17/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyQRHTYCTYHLKYAK-UHFFFAOYSA-N
XLogP3.69
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442882
N-(3-chlorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121443448
N-(3-cyano-4-fluorophenyl)-6-methyl-3-pyrimidin-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 155778258
N-(3-chloro-4-fluorophenyl)-3-(3,3-dimethylbut-1-ynyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 146512619
N-(3-chloro-4-fluorophenyl)-6-methyl-3-[2-(1-methylcyclopropyl)ethynyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 146512623
(5R)-13-(2,2-difluoroethyl)-N-(4-fluoro-3-methylphenyl)-5-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 146625464
(5R,11R)-14,14-difluoro-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide;methane
CID 167650569
(5R,11S)-14,14-difluoro-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide;methane
CID 167650567
(5R,11S)-N-(4-fluoro-3-methylphenyl)-11-[(1R)-1-hydroxyprop-2-enyl]-5,13-dimethyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 161070757
3-cyclobutyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;N-ethenyl-4-fluoro-3-methylaniline
CID 145116763
(6S)-3-cyclopentyl-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 142592259
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methyl-3-pyrimidin-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxamide
CID 155226176

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121443458) is N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cc(NC(=O)N2Cc3c(C4CCCO4)n[nH]c3CC2C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is QRHTYCTYHLKYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-11-8-13(5-6-15(11)20)21-19(25)24-10-14-16(9-12(24)2)22-23-18(14)17-4-3-7-26-17/h5-6,8,12,17H,3-4,7,9-10H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-6-methyl-3-(oxolan-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121443458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).