(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C16H18N6O — CID 95768735

IUPAC(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESCc1[nH]nc2ncc(C(=O)N3CCC[C@H](n4cccn4)C3)cc12
InChIInChI=1S/C16H18N6O/c1-11-14-8-12(9-17-15(14)20-19-11)16(23)21-6-2-4-13(10-21)22-7-3-5-18-22/h3,5,7-9,13H,2,4,6,10H2,1H3,(H,17,19,20)/t13-/m0/s1
InChIKeyBQSJJXLADMEBON-ZDUSSCGKSA-N
MW310.36 g/mol
LogP1.94
Rot. Bonds2

About (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone

(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95768735) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95768735
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESCc1[nH]nc2ncc(C(=O)N3CCC[C@H](n4cccn4)C3)cc12
InChIInChI=1S/C16H18N6O/c1-11-14-8-12(9-17-15(14)20-19-11)16(23)21-6-2-4-13(10-21)22-7-3-5-18-22/h3,5,7-9,13H,2,4,6,10H2,1H3,(H,17,19,20)/t13-/m0/s1
InChIKeyBQSJJXLADMEBON-ZDUSSCGKSA-N
XLogP1.94
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95160978
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 130423530
N-methyl-5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 95273055
(2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 129369690
(2S)-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365779
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119634595
(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 119652126
(5-bromothiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158101

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95768735) is (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone is Cc1[nH]nc2ncc(C(=O)N3CCC[C@H](n4cccn4)C3)cc12.
What is the InChIKey of (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is BQSJJXLADMEBON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-14-8-12(9-17-15(14)20-19-11)16(23)21-6-2-4-13(10-21)22-7-3-5-18-22/h3,5,7-9,13H,2,4,6,10H2,1H3,(H,17,19,20)/t13-/m0/s1.
What are the key properties of (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95768735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).