N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine

C16H19F2N7O2 — CID 168752187

IUPACN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESCc1nn(CC2CCOCC2)c2nc(Nc3cc(OC(F)F)n[nH]3)cnc12
InChIInChI=1S/C16H19F2N7O2/c1-9-14-15(25(24-9)8-10-2-4-26-5-3-10)21-12(7-19-14)20-11-6-13(23-22-11)27-16(17)18/h6-7,10,16H,2-5,8H2,1H3,(H2,20,21,22,23)
InChIKeyISCDMLUQQXPWRL-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.63
Rot. Bonds6

About N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 168752187) has the molecular formula C16H19F2N7O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID168752187
Molecular FormulaC16H19F2N7O2
Molecular Weight379.37 g/mol
Exact Mass379.16
IUPAC NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESCc1nn(CC2CCOCC2)c2nc(Nc3cc(OC(F)F)n[nH]3)cnc12
InChIInChI=1S/C16H19F2N7O2/c1-9-14-15(25(24-9)8-10-2-4-26-5-3-10)21-12(7-19-14)20-11-6-13(23-22-11)27-16(17)18/h6-7,10,16H,2-5,8H2,1H3,(H2,20,21,22,23)
InChIKeyISCDMLUQQXPWRL-UHFFFAOYSA-N
XLogP2.63
TPSA102.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine (CID 168752187) is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine is Cc1nn(CC2CCOCC2)c2nc(Nc3cc(OC(F)F)n[nH]3)cnc12.
What is the InChIKey of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is ISCDMLUQQXPWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N7O2/c1-9-14-15(25(24-9)8-10-2-4-26-5-3-10)21-12(7-19-14)20-11-6-13(23-22-11)27-16(17)18/h6-7,10,16H,2-5,8H2,1H3,(H2,20,21,22,23).
What are the key properties of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine?
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 379.37 g/mol, XLogP of 2.63, 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]-3-methyl-1-(oxan-4-ylmethyl)pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 168752187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).