[1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine

C19H19F3N4 — CID 42633780

IUPAC[1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine
SMILESCc1cc(-c2ccnc3n[nH]c(C(F)(F)F)c23)cc(C2(CN)CCC2)c1
InChIInChI=1S/C19H19F3N4/c1-11-7-12(9-13(8-11)18(10-23)4-2-5-18)14-3-6-24-17-15(14)16(25-26-17)19(20,21)22/h3,6-9H,2,4-5,10,23H2,1H3,(H,24,25,26)
InChIKeyFDCMEPRGSNNHNX-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.33
Rot. Bonds3

About [1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine

[1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine (PubChem CID 42633780) has the molecular formula C19H19F3N4 and a molecular weight of 360.38 g/mol. Its IUPAC name is [1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine
PubChem CID42633780
Molecular FormulaC19H19F3N4
Molecular Weight360.38 g/mol
Exact Mass360.16
IUPAC Name[1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine
SMILESCc1cc(-c2ccnc3n[nH]c(C(F)(F)F)c23)cc(C2(CN)CCC2)c1
InChIInChI=1S/C19H19F3N4/c1-11-7-12(9-13(8-11)18(10-23)4-2-5-18)14-3-6-24-17-15(14)16(25-26-17)19(20,21)22/h3,6-9H,2,4-5,10,23H2,1H3,(H,24,25,26)
InChIKeyFDCMEPRGSNNHNX-UHFFFAOYSA-N
XLogP4.33
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine (CID 42633780) is [1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine is Cc1cc(-c2ccnc3n[nH]c(C(F)(F)F)c23)cc(C2(CN)CCC2)c1.
What is the InChIKey of [1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine?
The InChIKey is FDCMEPRGSNNHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4/c1-11-7-12(9-13(8-11)18(10-23)4-2-5-18)14-3-6-24-17-15(14)16(25-26-17)19(20,21)22/h3,6-9H,2,4-5,10,23H2,1H3,(H,24,25,26).
What are the key properties of [1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine?
[1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine has a molecular weight of 360.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-methyl-5-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 42633780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).