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

C15H14BrFN4 — CID 43725626

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCc3ccc(Br)cc3F)cc12
InChIInChI=1S/C15H14BrFN4/c1-9-13-6-12(8-19-15(13)21(2)20-9)18-7-10-3-4-11(16)5-14(10)17/h3-6,8,18H,7H2,1-2H3
InChIKeyDHYIQHYMGKOCDB-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.79
Rot. Bonds3

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

N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (PubChem CID 43725626) has the molecular formula C15H14BrFN4 and a molecular weight of 349.21 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
PubChem CID43725626
Molecular FormulaC15H14BrFN4
Molecular Weight349.21 g/mol
Exact Mass348.04
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(NCc3ccc(Br)cc3F)cc12
InChIInChI=1S/C15H14BrFN4/c1-9-13-6-12(8-19-15(13)21(2)20-9)18-7-10-3-4-11(16)5-14(10)17/h3-6,8,18H,7H2,1-2H3
InChIKeyDHYIQHYMGKOCDB-UHFFFAOYSA-N
XLogP3.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 63668922
1,3-dimethyl-N-[(2-methylphenyl)methyl]pyrazolo[5,4-b]pyridin-5-amine
CID 43725573
3-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)amino]methyl]benzene-1,2-diol
CID 61319914
N-[(5-chlorofuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 60780857
N-[(5-ethylfuran-2-yl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 62344911
1,3-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrazolo[5,4-b]pyridin-5-amine
CID 62759821
1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725592
N-(1H-imidazol-5-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 62761757
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-fluorobenzenesulfonamide
CID 24650300
N-[(4-bromo-2-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812048
4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline
CID 62404398
1-bromo-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanesulfonamide
CID 83093269

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (CID 43725626) is N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is Cc1nn(C)c2ncc(NCc3ccc(Br)cc3F)cc12.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is DHYIQHYMGKOCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN4/c1-9-13-6-12(8-19-15(13)21(2)20-9)18-7-10-3-4-11(16)5-14(10)17/h3-6,8,18H,7H2,1-2H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 349.21 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 43725626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).