1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine

C14H17N7O — CID 169290480

IUPAC1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESCOc1cc(Nc2cnc3cnn([C@H](C)C4CC4)c3n2)[nH]n1
InChIInChI=1S/C14H17N7O/c1-8(9-3-4-9)21-14-10(6-16-21)15-7-12(18-14)17-11-5-13(22-2)20-19-11/h5-9H,3-4H2,1-2H3,(H2,17,18,19,20)/t8-/m1/s1
InChIKeyABJRNCXXWKDFKO-MRVPVSSYSA-N
MW299.34 g/mol
LogP2.27
Rot. Bonds5

About 1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine

1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 169290480) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID169290480
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESCOc1cc(Nc2cnc3cnn([C@H](C)C4CC4)c3n2)[nH]n1
InChIInChI=1S/C14H17N7O/c1-8(9-3-4-9)21-14-10(6-16-21)15-7-12(18-14)17-11-5-13(22-2)20-19-11/h5-9H,3-4H2,1-2H3,(H2,17,18,19,20)/t8-/m1/s1
InChIKeyABJRNCXXWKDFKO-MRVPVSSYSA-N
XLogP2.27
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752181
5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one
CID 170299136
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1S)-1-(2-fluorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168751927
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168751940
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752077
4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol
CID 168752193
trans-(1R,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclopentan-1-ol
CID 168751938
butane;ethane;5-hexyl-N-(3-methoxy-1H-pyrazol-5-yl)pyrrolo[2,3-b]pyrazin-3-amine
CID 171838992
1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 171482764
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752138
(3S)-3-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]oxolane-3-carbonitrile
CID 169290506
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-5-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyrazin-3-amine
CID 171838989

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine (CID 169290480) is 1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine is COc1cc(Nc2cnc3cnn([C@H](C)C4CC4)c3n2)[nH]n1.
What is the InChIKey of 1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is ABJRNCXXWKDFKO-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-8(9-3-4-9)21-14-10(6-16-21)15-7-12(18-14)17-11-5-13(22-2)20-19-11/h5-9H,3-4H2,1-2H3,(H2,17,18,19,20)/t8-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine?
1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 299.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 169290480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).