N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

C13H17F3N4 — CID 86842751

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCc1nn(C)c2ncc(CN(C)CCC(F)(F)F)cc12
InChIInChI=1S/C13H17F3N4/c1-9-11-6-10(7-17-12(11)20(3)18-9)8-19(2)5-4-13(14,15)16/h6-7H,4-5,8H2,1-3H3
InChIKeyLYSBDZVMKKFHNC-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.66
Rot. Bonds4

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 86842751) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID86842751
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCc1nn(C)c2ncc(CN(C)CCC(F)(F)F)cc12
InChIInChI=1S/C13H17F3N4/c1-9-11-6-10(7-17-12(11)20(3)18-9)8-19(2)5-4-13(14,15)16/h6-7H,4-5,8H2,1-3H3
InChIKeyLYSBDZVMKKFHNC-UHFFFAOYSA-N
XLogP2.66
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine with MolForge

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Related Compounds

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63032802
N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine
CID 87016623
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 87015872
N-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-1-amine
CID 86825253
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62779687
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methylethanamine
CID 87016149
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol
CID 63771382
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107455
1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 60976627
N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine
CID 86892545
N-[(4-tert-butylphenyl)methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 46566637

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine (CID 86842751) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is Cc1nn(C)c2ncc(CN(C)CCC(F)(F)F)cc12.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is LYSBDZVMKKFHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-9-11-6-10(7-17-12(11)20(3)18-9)8-19(2)5-4-13(14,15)16/h6-7H,4-5,8H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 286.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 86842751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).