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

C21H23N5O2 — CID 86843484

IUPACN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)C3CCCN(C(=O)Cc4ccccc4)C3)cc12
InChIInChI=1S/C21H23N5O2/c1-14-18-11-17(12-22-20(18)25-24-14)23-21(28)16-8-5-9-26(13-16)19(27)10-15-6-3-2-4-7-15/h2-4,6-7,11-12,16H,5,8-10,13H2,1H3,(H,23,28)(H,22,24,25)
InChIKeyZZMAPBTUJWUAGI-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.69
Rot. Bonds4

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

N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 86843484) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID86843484
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)C3CCCN(C(=O)Cc4ccccc4)C3)cc12
InChIInChI=1S/C21H23N5O2/c1-14-18-11-17(12-22-20(18)25-24-14)23-21(28)16-8-5-9-26(13-16)19(27)10-15-6-3-2-4-7-15/h2-4,6-7,11-12,16H,5,8-10,13H2,1H3,(H,23,28)(H,22,24,25)
InChIKeyZZMAPBTUJWUAGI-UHFFFAOYSA-N
XLogP2.69
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608361
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 139010453
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
(3S)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 96521978
(3S)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 97067339
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

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 86843484) is N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide is Cc1[nH]nc2ncc(NC(=O)C3CCCN(C(=O)Cc4ccccc4)C3)cc12.
What is the InChIKey of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is ZZMAPBTUJWUAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-18-11-17(12-22-20(18)25-24-14)23-21(28)16-8-5-9-26(13-16)19(27)10-15-6-3-2-4-7-15/h2-4,6-7,11-12,16H,5,8-10,13H2,1H3,(H,23,28)(H,22,24,25).
What are the key properties of N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 86843484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).