1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

C26H34N8O — CID 138715165

IUPAC1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2CN(C)C)CC1
InChIInChI=1S/C26H34N8O/c1-5-27-25-13-23-21(15-29-25)26(18-14-30-33(4)16-18)31-34(23)19-8-10-20(11-9-19)35-24-7-6-12-28-22(24)17-32(2)3/h6-7,12-16,19-20H,5,8-11,17H2,1-4H3,(H,27,29)
InChIKeyMLKBCXWIKNAMOJ-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.28
Rot. Bonds8

About 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715165) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715165
Molecular FormulaC26H34N8O
Molecular Weight474.61 g/mol
Exact Mass474.29
IUPAC Name1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2CN(C)C)CC1
InChIInChI=1S/C26H34N8O/c1-5-27-25-13-23-21(15-29-25)26(18-14-30-33(4)16-18)31-34(23)19-8-10-20(11-9-19)35-24-7-6-12-28-22(24)17-32(2)3/h6-7,12-16,19-20H,5,8-11,17H2,1-4H3,(H,27,29)
InChIKeyMLKBCXWIKNAMOJ-UHFFFAOYSA-N
XLogP4.28
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine with MolForge

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-ethylpyridin-2-amine
CID 23646992
Methyl substituted pyrazole, 28
CID 23648676
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406917
5-[[4-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-3-[(3R)-pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 71459414
(S)-1-(3-methoxy-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CID 77050662
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
US10399974, Example 56
CID 118348985
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647442
1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093249
1-{4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]pyridin-2-yl}-1H-indole
CID 23646995

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715165) is 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2CN(C)C)CC1.
What is the InChIKey of 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is MLKBCXWIKNAMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O/c1-5-27-25-13-23-21(15-29-25)26(18-14-30-33(4)16-18)31-34(23)19-8-10-20(11-9-19)35-24-7-6-12-28-22(24)17-32(2)3/h6-7,12-16,19-20H,5,8-11,17H2,1-4H3,(H,27,29).
What are the key properties of 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 474.61 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).