N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine

C15H14F2N4 — CID 16674391

IUPACN-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCc1cc(C)c2c(NCc3ccc(F)c(F)c3)n[nH]c2n1
InChIInChI=1S/C15H14F2N4/c1-8-5-9(2)19-15-13(8)14(20-21-15)18-7-10-3-4-11(16)12(17)6-10/h3-6H,7H2,1-2H3,(H2,18,19,20,21)
InChIKeyKABIUOLFFJBJJR-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.47
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine

N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 16674391) has the molecular formula C15H14F2N4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID16674391
Molecular FormulaC15H14F2N4
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCc1cc(C)c2c(NCc3ccc(F)c(F)c3)n[nH]c2n1
InChIInChI=1S/C15H14F2N4/c1-8-5-9(2)19-15-13(8)14(20-21-15)18-7-10-3-4-11(16)12(17)6-10/h3-6H,7H2,1-2H3,(H2,18,19,20,21)
InChIKeyKABIUOLFFJBJJR-UHFFFAOYSA-N
XLogP3.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 16674346
11-chloro-N-[(3,4-difluorophenyl)methyl]-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine
CID 89445249
N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097
3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 102750719
3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine
CID 105366846
N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777292
3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine
CID 81036342
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80904358

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 16674391) is N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine is Cc1cc(C)c2c(NCc3ccc(F)c(F)c3)n[nH]c2n1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is KABIUOLFFJBJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4/c1-8-5-9(2)19-15-13(8)14(20-21-15)18-7-10-3-4-11(16)12(17)6-10/h3-6H,7H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine?
N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 288.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 16674391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).