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

C23H24F2N6O — CID 138715568

IUPAC1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(F)c2F)CC1
InChIInChI=1S/C23H24F2N6O/c1-26-21-10-19-17(12-27-21)23(14-11-28-30(2)13-14)29-31(19)15-6-8-16(9-7-15)32-20-5-3-4-18(24)22(20)25/h3-5,10-13,15-16H,6-9H2,1-2H3,(H,26,27)
InChIKeyMSXSPRIDYACOLD-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.71
Rot. Bonds5

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

1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715568) has the molecular formula C23H24F2N6O and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715568
Molecular FormulaC23H24F2N6O
Molecular Weight438.48 g/mol
Exact Mass438.20
IUPAC Name1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(F)c2F)CC1
InChIInChI=1S/C23H24F2N6O/c1-26-21-10-19-17(12-27-21)23(14-11-28-30(2)13-14)29-31(19)15-6-8-16(9-7-15)32-20-5-3-4-18(24)22(20)25/h3-5,10-13,15-16H,6-9H2,1-2H3,(H,26,27)
InChIKeyMSXSPRIDYACOLD-UHFFFAOYSA-N
XLogP4.71
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715568) is 1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(F)c2F)CC1.
What is the InChIKey of 1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is MSXSPRIDYACOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O/c1-26-21-10-19-17(12-27-21)23(14-11-28-30(2)13-14)29-31(19)15-6-8-16(9-7-15)32-20-5-3-4-18(24)22(20)25/h3-5,10-13,15-16H,6-9H2,1-2H3,(H,26,27).
What are the key properties of 1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 438.48 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-difluorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).