[3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone

C20H21N5O2 — CID 164597744

IUPAC[3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(N)c2ccc(N3CC4CCC3C4)nc21
InChIInChI=1S/C20H21N5O2/c1-27-16-5-3-2-4-14(16)20(26)25-19-15(18(21)23-25)8-9-17(22-19)24-11-12-6-7-13(24)10-12/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H2,21,23)
InChIKeyLCWNGVRVTLLQGW-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.70
Rot. Bonds3

About [3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone

[3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 164597744) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID164597744
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(N)c2ccc(N3CC4CCC3C4)nc21
InChIInChI=1S/C20H21N5O2/c1-27-16-5-3-2-4-14(16)20(26)25-19-15(18(21)23-25)8-9-17(22-19)24-11-12-6-7-13(24)10-12/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H2,21,23)
InChIKeyLCWNGVRVTLLQGW-UHFFFAOYSA-N
XLogP2.70
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone
CID 169227035
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-methoxyaniline
CID 63678131
methyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazine-3-carboxylate
CID 133269783
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
[2-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]urea
CID 122139589
(5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 140701373
(2-methoxyphenyl)-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90590805
(3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 140701374
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)-(2-methoxyphenyl)methanone
CID 122273154
(2-amino-3-pyridinyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 62159557
[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(8-methoxy-2-methylquinolin-5-yl)-3-pyridinyl]methanone
CID 119069680

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone (CID 164597744) is [3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)n1nc(N)c2ccc(N3CC4CCC3C4)nc21.
What is the InChIKey of [3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is LCWNGVRVTLLQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-16-5-3-2-4-14(16)20(26)25-19-15(18(21)23-25)8-9-17(22-19)24-11-12-6-7-13(24)10-12/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H2,21,23).
What are the key properties of [3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone?
[3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 363.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 164597744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).