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

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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).