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

C21H21F2N7O2 — CID 168752138

IUPACN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn(C4CC(COCc5ccccc5)C4)c3n2)[nH]n1
InChIInChI=1S/C21H21F2N7O2/c22-21(23)32-19-8-17(28-29-19)26-18-10-24-16-9-25-30(20(16)27-18)15-6-14(7-15)12-31-11-13-4-2-1-3-5-13/h1-5,8-10,14-15,21H,6-7,11-12H2,(H2,26,27,28,29)
InChIKeyBNCXTJFQPKPFQL-UHFFFAOYSA-N
MW441.44 g/mol
LogP4.06
Rot. Bonds9

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

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 168752138) has the molecular formula C21H21F2N7O2 and a molecular weight of 441.44 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID168752138
Molecular FormulaC21H21F2N7O2
Molecular Weight441.44 g/mol
Exact Mass441.17
IUPAC NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn(C4CC(COCc5ccccc5)C4)c3n2)[nH]n1
InChIInChI=1S/C21H21F2N7O2/c22-21(23)32-19-8-17(28-29-19)26-18-10-24-16-9-25-30(20(16)27-18)15-6-14(7-15)12-31-11-13-4-2-1-3-5-13/h1-5,8-10,14-15,21H,6-7,11-12H2,(H2,26,27,28,29)
InChIKeyBNCXTJFQPKPFQL-UHFFFAOYSA-N
XLogP4.06
TPSA102.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,3R)-3-[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]cyclopentan-1-ol
CID 168751938
6-chloro-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazine
CID 168751951
1-(1-bicyclo[1.1.1]pentanylmethyl)-N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]pyrazolo[3,4-b]pyrazin-6-amine
CID 168752072
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
1-[(1R)-1-cyclopropylethyl]-N-(3-methoxy-1H-pyrazol-5-yl)pyrazolo[3,4-b]pyrazin-6-amine
CID 169290480
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
1-(2,2-difluoroethyl)-N-[3-(phenylmethoxymethyl)cyclobutyl]piperidin-4-amine
CID 138009608
cis-(1R,3S)-3-(phenylmethoxymethyl)cyclopentan-1-amine
CID 86659751
(3-propan-2-yloxycyclobutyl)methoxymethylbenzene
CID 160749410
3-[3-(phenylmethoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine
CID 139295787

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine (CID 168752138) is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine is FC(F)Oc1cc(Nc2cnc3cnn(C4CC(COCc5ccccc5)C4)c3n2)[nH]n1.
What is the InChIKey of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is BNCXTJFQPKPFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O2/c22-21(23)32-19-8-17(28-29-19)26-18-10-24-16-9-25-30(20(16)27-18)15-6-14(7-15)12-31-11-13-4-2-1-3-5-13/h1-5,8-10,14-15,21H,6-7,11-12H2,(H2,26,27,28,29).
What are the key properties of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine?
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 441.44 g/mol, XLogP of 4.06, 9 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-[3-(phenylmethoxymethyl)cyclobutyl]pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 168752138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).