N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine

C18H22N4O2 — CID 167938004

IUPACN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine
SMILESCOc1ccc(CC(C)Nc2ccnc3c2cnn3C)cc1OC
InChIInChI=1S/C18H22N4O2/c1-12(9-13-5-6-16(23-3)17(10-13)24-4)21-15-7-8-19-18-14(15)11-20-22(18)2/h5-8,10-12H,9H2,1-4H3,(H,19,21)
InChIKeyIVAVFYACRVAFIJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.03
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine (PubChem CID 167938004) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine
PubChem CID167938004
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine
SMILESCOc1ccc(CC(C)Nc2ccnc3c2cnn3C)cc1OC
InChIInChI=1S/C18H22N4O2/c1-12(9-13-5-6-16(23-3)17(10-13)24-4)21-15-7-8-19-18-14(15)11-20-22(18)2/h5-8,10-12H,9H2,1-4H3,(H,19,21)
InChIKeyIVAVFYACRVAFIJ-UHFFFAOYSA-N
XLogP3.03
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 61350604
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 27559456
4-[(3,4-dimethoxyphenyl)methyl]-10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 23605256
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine
CID 133292932
4-methyl-2-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pentanoic acid
CID 122062498
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-iodoaniline
CID 43124291
4-bromo-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]aniline
CID 43101384
3-methoxy-4-[[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
CID 156538960
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105203934
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 78947948

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine (CID 167938004) is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine is COc1ccc(CC(C)Nc2ccnc3c2cnn3C)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine?
The InChIKey is IVAVFYACRVAFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(9-13-5-6-16(23-3)17(10-13)24-4)21-15-7-8-19-18-14(15)11-20-22(18)2/h5-8,10-12H,9H2,1-4H3,(H,19,21).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine?
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 167938004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).