2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine

C11H14F2N4 — CID 141369929

IUPAC2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc2c(C(F)F)ccnc21
InChIInChI=1S/C11H14F2N4/c1-16(2)5-6-17-11-9(7-15-17)8(10(12)13)3-4-14-11/h3-4,7,10H,5-6H2,1-2H3
InChIKeyJYTPXAZJZYQWCL-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.93
Rot. Bonds4

About 2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine

2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine (PubChem CID 141369929) has the molecular formula C11H14F2N4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
PubChem CID141369929
Molecular FormulaC11H14F2N4
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc2c(C(F)F)ccnc21
InChIInChI=1S/C11H14F2N4/c1-16(2)5-6-17-11-9(7-15-17)8(10(12)13)3-4-14-11/h3-4,7,10H,5-6H2,1-2H3
InChIKeyJYTPXAZJZYQWCL-UHFFFAOYSA-N
XLogP1.93
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine (CID 141369929) is 2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc2c(C(F)F)ccnc21.
What is the InChIKey of 2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine?
The InChIKey is JYTPXAZJZYQWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4/c1-16(2)5-6-17-11-9(7-15-17)8(10(12)13)3-4-14-11/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of 2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine?
2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine has a molecular weight of 240.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 141369929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).