N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide

C22H25N5O2 — CID 55608361

IUPACN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)C3CCCN(C(=O)Cc4ccccc4)C3)cc12
InChIInChI=1S/C22H25N5O2/c1-15-19-12-18(13-23-21(19)26(2)25-15)24-22(29)17-9-6-10-27(14-17)20(28)11-16-7-4-3-5-8-16/h3-5,7-8,12-13,17H,6,9-11,14H2,1-2H3,(H,24,29)
InChIKeyIPPLCWSNNJFZER-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.70
Rot. Bonds4

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55608361) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55608361
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1nn(C)c2ncc(NC(=O)C3CCCN(C(=O)Cc4ccccc4)C3)cc12
InChIInChI=1S/C22H25N5O2/c1-15-19-12-18(13-23-21(19)26(2)25-15)24-22(29)17-9-6-10-27(14-17)20(28)11-16-7-4-3-5-8-16/h3-5,7-8,12-13,17H,6,9-11,14H2,1-2H3,(H,24,29)
InChIKeyIPPLCWSNNJFZER-UHFFFAOYSA-N
XLogP2.70
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 86843484
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
(3S)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 96521978
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
1-(5-bromothiophen-2-yl)sulfonyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)piperidine-3-carboxamide
CID 42939650
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 51334705
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 167986303
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55608361) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide is Cc1nn(C)c2ncc(NC(=O)C3CCCN(C(=O)Cc4ccccc4)C3)cc12.
What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is IPPLCWSNNJFZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-19-12-18(13-23-21(19)26(2)25-15)24-22(29)17-9-6-10-27(14-17)20(28)11-16-7-4-3-5-8-16/h3-5,7-8,12-13,17H,6,9-11,14H2,1-2H3,(H,24,29).
What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55608361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).