[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone

C22H32N4O — CID 9489912

IUPAC[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C22H32N4O/c1-14(2)20-11-18(19-12-23-26(15(3)4)21(19)24-20)22(27)25-10-9-16-7-5-6-8-17(16)13-25/h11-12,14-17H,5-10,13H2,1-4H3/t16-,17-/m0/s1
InChIKeyYWVWZSFCIOUVCP-IRXDYDNUSA-N
MW368.53 g/mol
LogP4.79
Rot. Bonds3

About [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone

[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 9489912) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID9489912
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C22H32N4O/c1-14(2)20-11-18(19-12-23-26(15(3)4)21(19)24-20)22(27)25-10-9-16-7-5-6-8-17(16)13-25/h11-12,14-17H,5-10,13H2,1-4H3/t16-,17-/m0/s1
InChIKeyYWVWZSFCIOUVCP-IRXDYDNUSA-N
XLogP4.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 24539678
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 52529673
1-[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021617
(2S)-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124682044
(2R)-1-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 124682042
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 119409294
[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32771223
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 24554726
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30436259
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 17440231

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone (CID 9489912) is [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone is CC(C)c1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c2cnn(C(C)C)c2n1.
What is the InChIKey of [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is YWVWZSFCIOUVCP-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H32N4O/c1-14(2)20-11-18(19-12-23-26(15(3)4)21(19)24-20)22(27)25-10-9-16-7-5-6-8-17(16)13-25/h11-12,14-17H,5-10,13H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone?
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 368.53 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 9489912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).