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

C25H32N8O — CID 138715242

IUPAC1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2CN(C)C)CC1
InChIInChI=1S/C25H32N8O/c1-26-24-12-22-20(14-28-24)25(17-13-29-32(4)15-17)30-33(22)18-7-9-19(10-8-18)34-23-6-5-11-27-21(23)16-31(2)3/h5-6,11-15,18-19H,7-10,16H2,1-4H3,(H,26,28)
InChIKeyOOLPARUANSTKCI-UHFFFAOYSA-N
MW460.59 g/mol
LogP3.89
Rot. Bonds7

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

1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715242) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-methyl-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-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715242
Molecular FormulaC25H32N8O
Molecular Weight460.59 g/mol
Exact Mass460.27
IUPAC Name1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccnc2CN(C)C)CC1
InChIInChI=1S/C25H32N8O/c1-26-24-12-22-20(14-28-24)25(17-13-29-32(4)15-17)30-33(22)18-7-9-19(10-8-18)34-23-6-5-11-27-21(23)16-31(2)3/h5-6,11-15,18-19H,7-10,16H2,1-4H3,(H,26,28)
InChIKeyOOLPARUANSTKCI-UHFFFAOYSA-N
XLogP3.89
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 53.89
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-methyl-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-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715242) is 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-methyl-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-methyl-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-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(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-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is OOLPARUANSTKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O/c1-26-24-12-22-20(14-28-24)25(17-13-29-32(4)15-17)30-33(22)18-7-9-19(10-8-18)34-23-6-5-11-27-21(23)16-31(2)3/h5-6,11-15,18-19H,7-10,16H2,1-4H3,(H,26,28).
What are the key properties of 1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
1-[4-[[2-[(dimethylamino)methyl]-3-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 460.59 g/mol, XLogP of 3.89, 7 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-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).