1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

C26H26FN7O — CID 138715017

IUPAC1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc3ncc(F)cc23)CC1
InChIInChI=1S/C26H26FN7O/c1-28-25-11-23-21(14-30-25)26(16-12-31-33(2)15-16)32-34(23)18-6-8-19(9-7-18)35-24-5-3-4-22-20(24)10-17(27)13-29-22/h3-5,10-15,18-19H,6-9H2,1-2H3,(H,28,30)
InChIKeyRIHOYYGXDUXBIQ-UHFFFAOYSA-N
MW471.54 g/mol
LogP5.12
Rot. Bonds5

About 1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715017) has the molecular formula C26H26FN7O and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715017
Molecular FormulaC26H26FN7O
Molecular Weight471.54 g/mol
Exact Mass471.22
IUPAC Name1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc3ncc(F)cc23)CC1
InChIInChI=1S/C26H26FN7O/c1-28-25-11-23-21(14-30-25)26(16-12-31-33(2)15-16)32-34(23)18-6-8-19(9-7-18)35-24-5-3-4-22-20(24)10-17(27)13-29-22/h3-5,10-15,18-19H,6-9H2,1-2H3,(H,28,30)
InChIKeyRIHOYYGXDUXBIQ-UHFFFAOYSA-N
XLogP5.12
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.54
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715017) is 1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc3ncc(F)cc23)CC1.
What is the InChIKey of 1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is RIHOYYGXDUXBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O/c1-28-25-11-23-21(14-30-25)26(16-12-31-33(2)15-16)32-34(23)18-6-8-19(9-7-18)35-24-5-3-4-22-20(24)10-17(27)13-29-22/h3-5,10-15,18-19H,6-9H2,1-2H3,(H,28,30).
What are the key properties of 1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 471.54 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoroquinolin-5-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).