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

C23H25FN6O — CID 138682824

IUPAC1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1ccn(C)n1)nn2C1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C23H25FN6O/c1-25-22-13-20-17(14-26-22)23(19-11-12-29(2)27-19)28-30(20)15-7-9-16(10-8-15)31-21-6-4-3-5-18(21)24/h3-6,11-16H,7-10H2,1-2H3,(H,25,26)
InChIKeyHTDHJSKYCQHNPJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.58
Rot. Bonds5

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

1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138682824) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138682824
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1ccn(C)n1)nn2C1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C23H25FN6O/c1-25-22-13-20-17(14-26-22)23(19-11-12-29(2)27-19)28-30(20)15-7-9-16(10-8-15)31-21-6-4-3-5-18(21)24/h3-6,11-16H,7-10H2,1-2H3,(H,25,26)
InChIKeyHTDHJSKYCQHNPJ-UHFFFAOYSA-N
XLogP4.58
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138682824) is 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1ccn(C)n1)nn2C1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is HTDHJSKYCQHNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-25-22-13-20-17(14-26-22)23(19-11-12-29(2)27-19)28-30(20)15-7-9-16(10-8-15)31-21-6-4-3-5-18(21)24/h3-6,11-16H,7-10H2,1-2H3,(H,25,26).
What are the key properties of 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine?
1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 420.49 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138682824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).