1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine

C24H24F4N6O — CID 138682712

IUPAC1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1ccn(C)n1)cn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C24H24F4N6O/c1-29-21-11-20-16(12-31-21)17(19-8-10-33(2)32-19)13-34(20)14-3-5-15(6-4-14)35-23-22(25)18(7-9-30-23)24(26,27)28/h7-15H,3-6H2,1-2H3,(H,29,31)
InChIKeyVENHMKIUHYTQKE-UHFFFAOYSA-N
MW488.49 g/mol
LogP5.59
Rot. Bonds5

About 1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine

1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 138682712) has the molecular formula C24H24F4N6O and a molecular weight of 488.49 g/mol. Its IUPAC name is 1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine
PubChem CID138682712
Molecular FormulaC24H24F4N6O
Molecular Weight488.49 g/mol
Exact Mass488.19
IUPAC Name1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine
SMILESCNc1cc2c(cn1)c(-c1ccn(C)n1)cn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C24H24F4N6O/c1-29-21-11-20-16(12-31-21)17(19-8-10-33(2)32-19)13-34(20)14-3-5-15(6-4-14)35-23-22(25)18(7-9-30-23)24(26,27)28/h7-15H,3-6H2,1-2H3,(H,29,31)
InChIKeyVENHMKIUHYTQKE-UHFFFAOYSA-N
XLogP5.59
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.49
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine (CID 138682712) is 1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1ccn(C)n1)cn2C1CCC(Oc2nccc(C(F)(F)F)c2F)CC1.
What is the InChIKey of 1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is VENHMKIUHYTQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N6O/c1-29-21-11-20-16(12-31-21)17(19-8-10-33(2)32-19)13-34(20)14-3-5-15(6-4-14)35-23-22(25)18(7-9-30-23)24(26,27)28/h7-15H,3-6H2,1-2H3,(H,29,31).
What are the key properties of 1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine?
1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 488.49 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 138682712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).