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

C15H17F2N7O2 — CID 168752181

IUPACN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESC[C@H]([C@H]1CCOC1)n1ncc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21
InChIInChI=1S/C15H17F2N7O2/c1-8(9-2-3-25-7-9)24-14-10(5-19-24)18-6-12(21-14)20-11-4-13(23-22-11)26-15(16)17/h4-6,8-9,15H,2-3,7H2,1H3,(H2,20,21,22,23)/t8-,9+/m1/s1
InChIKeyDUCPNPRKAYTQNJ-BDAKNGLRSA-N
MW365.34 g/mol
LogP2.49
Rot. Bonds6

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

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 168752181) has the molecular formula C15H17F2N7O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID168752181
Molecular FormulaC15H17F2N7O2
Molecular Weight365.34 g/mol
Exact Mass365.14
IUPAC NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESC[C@H]([C@H]1CCOC1)n1ncc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21
InChIInChI=1S/C15H17F2N7O2/c1-8(9-2-3-25-7-9)24-14-10(5-19-24)18-6-12(21-14)20-11-4-13(23-22-11)26-15(16)17/h4-6,8-9,15H,2-3,7H2,1H3,(H2,20,21,22,23)/t8-,9+/m1/s1
InChIKeyDUCPNPRKAYTQNJ-BDAKNGLRSA-N
XLogP2.49
TPSA102.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine
CID 169290480
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
5-[[1-[(1S)-1-(oxan-4-yl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]-1,2-dihydropyrazol-3-one
CID 170299136
trans-(1R,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclopentan-1-ol
CID 168751938
1-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 171482764
3-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1S)-1-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
CID 175872436
tert-butyl 3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazin-2-yl]oxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 178069710
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-methoxy-5-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,5-diamine
CID 68995919
[(3R)-oxolan-3-yl] 6-cyclopropyl-1-[(1R)-1-cyclopropylethyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 97209203
5-bromo-2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 68875937
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 N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine (CID 168752181) is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine is C[C@H]([C@H]1CCOC1)n1ncc2ncc(Nc3cc(OC(F)F)n[nH]3)nc21.
What is the InChIKey of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is DUCPNPRKAYTQNJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C15H17F2N7O2/c1-8(9-2-3-25-7-9)24-14-10(5-19-24)18-6-12(21-14)20-11-4-13(23-22-11)26-15(16)17/h4-6,8-9,15H,2-3,7H2,1H3,(H2,20,21,22,23)/t8-,9+/m1/s1.
What are the key properties of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 365.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 168752181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).