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

C23H27N7O — CID 138715049

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cnccc2C)CC1
InChIInChI=1S/C23H27N7O/c1-15-8-9-25-13-21(15)31-18-6-4-17(5-7-18)30-20-10-22(24-2)26-12-19(20)23(28-30)16-11-27-29(3)14-16/h8-14,17-18H,4-7H2,1-3H3,(H,24,26)
InChIKeyAETSJLUJNHRHTF-UHFFFAOYSA-N
MW417.52 g/mol
LogP4.14
Rot. Bonds5

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

N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715049) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715049
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cnccc2C)CC1
InChIInChI=1S/C23H27N7O/c1-15-8-9-25-13-21(15)31-18-6-4-17(5-7-18)30-20-10-22(24-2)26-12-19(20)23(28-30)16-11-27-29(3)14-16/h8-14,17-18H,4-7H2,1-3H3,(H,24,26)
InChIKeyAETSJLUJNHRHTF-UHFFFAOYSA-N
XLogP4.14
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (CID 138715049) is N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cnccc2C)CC1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is AETSJLUJNHRHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-15-8-9-25-13-21(15)31-18-6-4-17(5-7-18)30-20-10-22(24-2)26-12-19(20)23(28-30)16-11-27-29(3)14-16/h8-14,17-18H,4-7H2,1-3H3,(H,24,26).
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 417.52 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(4-methyl-3-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).