[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone

C20H30N4O — CID 52529673

IUPAC[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCC[C@H]2C(C)C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C20H30N4O/c1-12(2)17-10-15(16-11-21-24(14(5)6)19(16)22-17)20(25)23-9-7-8-18(23)13(3)4/h10-14,18H,7-9H2,1-6H3/t18-/m0/s1
InChIKeyJVWMREXAJOESGE-SFHVURJKSA-N
MW342.49 g/mol
LogP4.40
Rot. Bonds4

About [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone

[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone (PubChem CID 52529673) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
PubChem CID52529673
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCC[C@H]2C(C)C)c2cnn(C(C)C)c2n1
InChIInChI=1S/C20H30N4O/c1-12(2)17-10-15(16-11-21-24(14(5)6)19(16)22-17)20(25)23-9-7-8-18(23)13(3)4/h10-14,18H,7-9H2,1-6H3/t18-/m0/s1
InChIKeyJVWMREXAJOESGE-SFHVURJKSA-N
XLogP4.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(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
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 24539678
[(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
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
N,1,6-tri(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27648180
N-methyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17469136
1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355904
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 24541509
[4-[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32771223
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 78885056
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 110887010

Frequently Asked Questions

What is the IUPAC name of [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone (CID 52529673) is [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone is CC(C)c1cc(C(=O)N2CCC[C@H]2C(C)C)c2cnn(C(C)C)c2n1.
What is the InChIKey of [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is JVWMREXAJOESGE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N4O/c1-12(2)17-10-15(16-11-21-24(14(5)6)19(16)22-17)20(25)23-9-7-8-18(23)13(3)4/h10-14,18H,7-9H2,1-6H3/t18-/m0/s1.
What are the key properties of [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone?
[1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 342.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 52529673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).