[(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C15H17N7O — CID 125017315

IUPAC[(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESNc1[nH]nc2nc([C@@H]3CCCN(C(=O)c4ccn[nH]4)C3)ccc12
InChIInChI=1S/C15H17N7O/c16-13-10-3-4-11(18-14(10)21-20-13)9-2-1-7-22(8-9)15(23)12-5-6-17-19-12/h3-6,9H,1-2,7-8H2,(H,17,19)(H3,16,18,20,21)/t9-/m1/s1
InChIKeyXGPVTEQSANDSBV-SECBINFHSA-N
MW311.35 g/mol
LogP1.28
Rot. Bonds2

About [(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 125017315) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is [(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID125017315
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name[(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESNc1[nH]nc2nc([C@@H]3CCCN(C(=O)c4ccn[nH]4)C3)ccc12
InChIInChI=1S/C15H17N7O/c16-13-10-3-4-11(18-14(10)21-20-13)9-2-1-7-22(8-9)15(23)12-5-6-17-19-12/h3-6,9H,1-2,7-8H2,(H,17,19)(H3,16,18,20,21)/t9-/m1/s1
InChIKeyXGPVTEQSANDSBV-SECBINFHSA-N
XLogP1.28
TPSA116.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid
CID 124964006
[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125018323
[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110118587
[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 124972241
6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 125020940
[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249747
[(3S)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95838490
6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 125027092
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97313996
1H-pyrazol-5-yl-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810136
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95838924

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 125017315) is [(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is Nc1[nH]nc2nc([C@@H]3CCCN(C(=O)c4ccn[nH]4)C3)ccc12.
What is the InChIKey of [(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is XGPVTEQSANDSBV-SECBINFHSA-N. The full InChI is InChI=1S/C15H17N7O/c16-13-10-3-4-11(18-14(10)21-20-13)9-2-1-7-22(8-9)15(23)12-5-6-17-19-12/h3-6,9H,1-2,7-8H2,(H,17,19)(H3,16,18,20,21)/t9-/m1/s1.
What are the key properties of [(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 311.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 125017315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).