3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C21H25N5O — CID 119041844

IUPAC3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)NC3CCN(C(C)c4ccccc4)CC3)cc12
InChIInChI=1S/C21H25N5O/c1-14-19-12-17(13-22-20(19)25-24-14)21(27)23-18-8-10-26(11-9-18)15(2)16-6-4-3-5-7-16/h3-7,12-13,15,18H,8-11H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyJPEJRCIMOLHGMH-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.22
Rot. Bonds4

About 3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 119041844) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID119041844
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)NC3CCN(C(C)c4ccccc4)CC3)cc12
InChIInChI=1S/C21H25N5O/c1-14-19-12-17(13-22-20(19)25-24-14)21(27)23-18-8-10-26(11-9-18)15(2)16-6-4-3-5-7-16/h3-7,12-13,15,18H,8-11H2,1-2H3,(H,23,27)(H,22,24,25)
InChIKeyJPEJRCIMOLHGMH-UHFFFAOYSA-N
XLogP3.22
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119429140
3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119429139
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 47910272
N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 166379175
3-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 95778093
3-propan-2-yl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 99701439
N-[1-(1-phenylethyl)piperidin-4-yl]-3-pyrrolidin-1-ylbenzamide
CID 138058182
5-fluoro-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1H-indole-3-carboxamide
CID 13490832
N-[1-[(1R)-1-naphthalen-2-ylethyl]piperidin-4-yl]benzamide
CID 51966883
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
CID 75834351
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 119041844) is 3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1[nH]nc2ncc(C(=O)NC3CCN(C(C)c4ccccc4)CC3)cc12.
What is the InChIKey of 3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JPEJRCIMOLHGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-19-12-17(13-22-20(19)25-24-14)21(27)23-18-8-10-26(11-9-18)15(2)16-6-4-3-5-7-16/h3-7,12-13,15,18H,8-11H2,1-2H3,(H,23,27)(H,22,24,25).
What are the key properties of 3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 119041844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).