5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one

C15H19N7O2 — CID 170299136

IUPAC5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one
SMILESC[C@@H](C1CCOCC1)n1ncc2ncc(Nc3cc(=O)[nH][nH]3)nc21
InChIInChI=1S/C15H19N7O2/c1-9(10-2-4-24-5-3-10)22-15-11(7-17-22)16-8-13(19-15)18-12-6-14(23)21-20-12/h6-10H,2-5H2,1H3,(H3,18,19,20,21,23)/t9-/m0/s1
InChIKeyWVAFUCHUPPVBJX-VIFPVBQESA-N
MW329.36 g/mol
LogP1.57
Rot. Bonds4

About 5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one

5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one (PubChem CID 170299136) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one
PubChem CID170299136
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one
SMILESC[C@@H](C1CCOCC1)n1ncc2ncc(Nc3cc(=O)[nH][nH]3)nc21
InChIInChI=1S/C15H19N7O2/c1-9(10-2-4-24-5-3-10)22-15-11(7-17-22)16-8-13(19-15)18-12-6-14(23)21-20-12/h6-10H,2-5H2,1H3,(H3,18,19,20,21,23)/t9-/m0/s1
InChIKeyWVAFUCHUPPVBJX-VIFPVBQESA-N
XLogP1.57
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.57
H-Bond Donors ≤ 53
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
1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine
CID 169290480
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-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752077
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168751940
tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate
CID 171838639
5-methyl-1-(oxan-4-ylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrazolo[3,4-b]pyrazin-6-amine
CID 171838626
1-[(1R)-1-(oxan-4-yl)ethyl]-4-oxo-6-[(1S,2S)-2-pyrazol-1-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile
CID 151660492
1-(1-cyclopropylethyl)-N-(2-methylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75467643
1-(1-cyclopropylethyl)-N-(5-fluoro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 154747674
4-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclohexan-1-ol
CID 168752193
N-[5-(2-fluoropropyl)-1H-pyrazol-3-yl]-2-methyl-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyrazin-5-amine
CID 171838774

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one (CID 170299136) is 5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one is C[C@@H](C1CCOCC1)n1ncc2ncc(Nc3cc(=O)[nH][nH]3)nc21.
What is the InChIKey of 5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one?
The InChIKey is WVAFUCHUPPVBJX-VIFPVBQESA-N. The full InChI is InChI=1S/C15H19N7O2/c1-9(10-2-4-24-5-3-10)22-15-11(7-17-22)16-8-13(19-15)18-12-6-14(23)21-20-12/h6-10H,2-5H2,1H3,(H3,18,19,20,21,23)/t9-/m0/s1.
What are the key properties of 5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one?
5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one has a molecular weight of 329.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 170299136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).