N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

C15H14F2N4 — CID 63668922

IUPACN-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCc3cccc(F)c3F)cc12
InChIInChI=1S/C15H14F2N4/c1-9-12-6-11(8-19-15(12)21(2)20-9)18-7-10-4-3-5-13(16)14(10)17/h3-6,8,18H,7H2,1-2H3
InChIKeyCIAVWEAFBHMRSB-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.17
Rot. Bonds3

About N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (PubChem CID 63668922) has the molecular formula C15H14F2N4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
PubChem CID63668922
Molecular FormulaC15H14F2N4
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC NameN-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCc3cccc(F)c3F)cc12
InChIInChI=1S/C15H14F2N4/c1-9-12-6-11(8-19-15(12)21(2)20-9)18-7-10-4-3-5-13(16)14(10)17/h3-6,8,18H,7H2,1-2H3
InChIKeyCIAVWEAFBHMRSB-UHFFFAOYSA-N
XLogP3.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (CID 63668922) is N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is Cc1nn(C)c2ncc(NCc3cccc(F)c3F)cc12.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is CIAVWEAFBHMRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4/c1-9-12-6-11(8-19-15(12)21(2)20-9)18-7-10-4-3-5-13(16)14(10)17/h3-6,8,18H,7H2,1-2H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 288.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 63668922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).