N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine

C21H24F2N4 — CID 86892545

IUPACN-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine
SMILESCc1nn(C)c2ncc(CN(Cc3c(F)cccc3F)C3CCCC3)cc12
InChIInChI=1S/C21H24F2N4/c1-14-17-10-15(11-24-21(17)26(2)25-14)12-27(16-6-3-4-7-16)13-18-19(22)8-5-9-20(18)23/h5,8-11,16H,3-4,6-7,12-13H2,1-2H3
InChIKeyUBGBBFOBPSXFRV-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.50
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine

N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine (PubChem CID 86892545) has the molecular formula C21H24F2N4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine
PubChem CID86892545
Molecular FormulaC21H24F2N4
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine
SMILESCc1nn(C)c2ncc(CN(Cc3c(F)cccc3F)C3CCCC3)cc12
InChIInChI=1S/C21H24F2N4/c1-14-17-10-15(11-24-21(17)26(2)25-14)12-27(16-6-3-4-7-16)13-18-19(22)8-5-9-20(18)23/h5,8-11,16H,3-4,6-7,12-13H2,1-2H3
InChIKeyUBGBBFOBPSXFRV-UHFFFAOYSA-N
XLogP4.50
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine with MolForge

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Related Compounds

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]-2,6-dimethylpiperidin-1-amine
CID 83009426
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 87015872
trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol
CID 124550232
N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine
CID 87016623
N-[(5-bromo-2-fluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
CID 86875479
2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 60975729
(1S)-1-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 81386392
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 86842751
N-cyclopentyl-N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 98221525
[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 87015876
N-[(2,3-difluorophenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 63668922

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine (CID 86892545) is N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine is Cc1nn(C)c2ncc(CN(Cc3c(F)cccc3F)C3CCCC3)cc12.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine?
The InChIKey is UBGBBFOBPSXFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4/c1-14-17-10-15(11-24-21(17)26(2)25-14)12-27(16-6-3-4-7-16)13-18-19(22)8-5-9-20(18)23/h5,8-11,16H,3-4,6-7,12-13H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine?
N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine has a molecular weight of 370.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]cyclopentanamine is sourced from PubChem (CID 86892545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).