1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C22H27N5O — CID 46396165

IUPAC1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCCN(c2nccc3c(C)nn(C)c23)C1
InChIInChI=1S/C22H27N5O/c1-15-7-4-5-8-17(15)13-24-22(28)18-9-6-12-27(14-18)21-20-19(10-11-23-21)16(2)25-26(20)3/h4-5,7-8,10-11,18H,6,9,12-14H2,1-3H3,(H,24,28)
InChIKeySZNGDGMUGVPWHC-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.12
Rot. Bonds4

About 1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide

1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 46396165) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID46396165
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCCN(c2nccc3c(C)nn(C)c23)C1
InChIInChI=1S/C22H27N5O/c1-15-7-4-5-8-17(15)13-24-22(28)18-9-6-12-27(14-18)21-20-19(10-11-23-21)16(2)25-26(20)3/h4-5,7-8,10-11,18H,6,9,12-14H2,1-3H3,(H,24,28)
InChIKeySZNGDGMUGVPWHC-UHFFFAOYSA-N
XLogP3.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331
(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95055787
1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53070339
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
N-[(2-methylphenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025019
N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025098
(3S)-N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055860
1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53123028
(3R)-N-[(2-chlorophenyl)methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050375
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
N-[(2-fluorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 46392375
(3S)-1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95069668

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 46396165) is 1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccccc1CNC(=O)C1CCCN(c2nccc3c(C)nn(C)c23)C1.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is SZNGDGMUGVPWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15-7-4-5-8-17(15)13-24-22(28)18-9-6-12-27(14-18)21-20-19(10-11-23-21)16(2)25-26(20)3/h4-5,7-8,10-11,18H,6,9,12-14H2,1-3H3,(H,24,28).
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazolo[5,4-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46396165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).