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

C24H24F4N6O — CID 138682732

IUPAC1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCn1cc(-c2nn(C3CCC(Oc4ccccc4F)CC3)c3cc(NCC(F)(F)F)ncc23)cn1
InChIInChI=1S/C24H24F4N6O/c1-33-13-15(11-31-33)23-18-12-29-22(30-14-24(26,27)28)10-20(18)34(32-23)16-6-8-17(9-7-16)35-21-5-3-2-4-19(21)25/h2-5,10-13,16-17H,6-9,14H2,1H3,(H,29,30)
InChIKeyKYRHLFLRSKNTMY-UHFFFAOYSA-N
MW488.49 g/mol
LogP5.51
Rot. Bonds6

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

1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138682732) has the molecular formula C24H24F4N6O and a molecular weight of 488.49 g/mol. Its IUPAC name is 1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138682732
Molecular FormulaC24H24F4N6O
Molecular Weight488.49 g/mol
Exact Mass488.19
IUPAC Name1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCn1cc(-c2nn(C3CCC(Oc4ccccc4F)CC3)c3cc(NCC(F)(F)F)ncc23)cn1
InChIInChI=1S/C24H24F4N6O/c1-33-13-15(11-31-33)23-18-12-29-22(30-14-24(26,27)28)10-20(18)34(32-23)16-6-8-17(9-7-16)35-21-5-3-2-4-19(21)25/h2-5,10-13,16-17H,6-9,14H2,1H3,(H,29,30)
InChIKeyKYRHLFLRSKNTMY-UHFFFAOYSA-N
XLogP5.51
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.49
LogP ≤ 55.51
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]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine (CID 138682732) is 1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine is Cn1cc(-c2nn(C3CCC(Oc4ccccc4F)CC3)c3cc(NCC(F)(F)F)ncc23)cn1.
What is the InChIKey of 1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is KYRHLFLRSKNTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N6O/c1-33-13-15(11-31-33)23-18-12-29-22(30-14-24(26,27)28)10-20(18)34(32-23)16-6-8-17(9-7-16)35-21-5-3-2-4-19(21)25/h2-5,10-13,16-17H,6-9,14H2,1H3,(H,29,30).
What are the key properties of 1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine?
1-[4-(2-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 488.49 g/mol, XLogP of 5.51, 6 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]-3-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138682732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).