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

C23H27N7O2 — CID 138715026

IUPAC1-[4-[(6-methoxy-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(Oc2ccc(OC)nc2)CC1
InChIInChI=1S/C23H27N7O2/c1-24-21-10-20-19(13-25-21)23(15-11-27-29(2)14-15)28-30(20)16-4-6-17(7-5-16)32-18-8-9-22(31-3)26-12-18/h8-14,16-17H,4-7H2,1-3H3,(H,24,25)
InChIKeyKSCJDMZOEHAJSS-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.84
Rot. Bonds6

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

1-[4-[(6-methoxy-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715026) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 1-[4-[(6-methoxy-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[4-[(6-methoxy-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715026
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name1-[4-[(6-methoxy-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(Oc2ccc(OC)nc2)CC1
InChIInChI=1S/C23H27N7O2/c1-24-21-10-20-19(13-25-21)23(15-11-27-29(2)14-15)28-30(20)16-4-6-17(7-5-16)32-18-8-9-22(31-3)26-12-18/h8-14,16-17H,4-7H2,1-3H3,(H,24,25)
InChIKeyKSCJDMZOEHAJSS-UHFFFAOYSA-N
XLogP3.84
TPSA91.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methoxy-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[4-[(6-methoxy-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715026) is 1-[4-[(6-methoxy-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-[(6-methoxy-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[4-[(6-methoxy-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(Oc2ccc(OC)nc2)CC1.
What is the InChIKey of 1-[4-[(6-methoxy-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is KSCJDMZOEHAJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-24-21-10-20-19(13-25-21)23(15-11-27-29(2)14-15)28-30(20)16-4-6-17(7-5-16)32-18-8-9-22(31-3)26-12-18/h8-14,16-17H,4-7H2,1-3H3,(H,24,25).
What are the key properties of 1-[4-[(6-methoxy-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
1-[4-[(6-methoxy-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 433.52 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methoxy-3-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).