N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine

C17H17F3N4O2 — CID 95806964

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCOc1ccc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)c(OC)c1
InChIInChI=1S/C17H17F3N4O2/c1-9-6-12(17(18,19)20)14-15(23-24-16(14)22-9)21-8-10-4-5-11(25-2)7-13(10)26-3/h4-7H,8H2,1-3H3,(H2,21,22,23,24)
InChIKeyKBGFPMWLYSWNAP-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.91
Rot. Bonds5

About N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine

N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 95806964) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID95806964
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCOc1ccc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)c(OC)c1
InChIInChI=1S/C17H17F3N4O2/c1-9-6-12(17(18,19)20)14-15(23-24-16(14)22-9)21-8-10-4-5-11(25-2)7-13(10)26-3/h4-7H,8H2,1-3H3,(H2,21,22,23,24)
InChIKeyKBGFPMWLYSWNAP-UHFFFAOYSA-N
XLogP3.91
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine (CID 95806964) is N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine is COc1ccc(CNc2n[nH]c3nc(C)cc(C(F)(F)F)c23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is KBGFPMWLYSWNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-9-6-12(17(18,19)20)14-15(23-24-16(14)22-9)21-8-10-4-5-11(25-2)7-13(10)26-3/h4-7H,8H2,1-3H3,(H2,21,22,23,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine?
N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 366.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 95806964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).