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

C28H26F3N7O — CID 138715080

IUPAC3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCn1cc(-c2nn(C3CCC(Oc4ncccc4C(F)(F)F)CC3)c3cc(Nc4ccccc4)ncc23)cn1
InChIInChI=1S/C28H26F3N7O/c1-37-17-18(15-34-37)26-22-16-33-25(35-19-6-3-2-4-7-19)14-24(22)38(36-26)20-9-11-21(12-10-20)39-27-23(28(29,30)31)8-5-13-32-27/h2-8,13-17,20-21H,9-12H2,1H3,(H,33,35)
InChIKeyLZXUNBCSKDGSRW-UHFFFAOYSA-N
MW533.56 g/mol
LogP6.55
Rot. Bonds6

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

3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715080) has the molecular formula C28H26F3N7O and a molecular weight of 533.56 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715080
Molecular FormulaC28H26F3N7O
Molecular Weight533.56 g/mol
Exact Mass533.22
IUPAC Name3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCn1cc(-c2nn(C3CCC(Oc4ncccc4C(F)(F)F)CC3)c3cc(Nc4ccccc4)ncc23)cn1
InChIInChI=1S/C28H26F3N7O/c1-37-17-18(15-34-37)26-22-16-33-25(35-19-6-3-2-4-7-19)14-24(22)38(36-26)20-9-11-21(12-10-20)39-27-23(28(29,30)31)8-5-13-32-27/h2-8,13-17,20-21H,9-12H2,1H3,(H,33,35)
InChIKeyLZXUNBCSKDGSRW-UHFFFAOYSA-N
XLogP6.55
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.56
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (CID 138715080) is 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is Cn1cc(-c2nn(C3CCC(Oc4ncccc4C(F)(F)F)CC3)c3cc(Nc4ccccc4)ncc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is LZXUNBCSKDGSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N7O/c1-37-17-18(15-34-37)26-22-16-33-25(35-19-6-3-2-4-7-19)14-24(22)38(36-26)20-9-11-21(12-10-20)39-27-23(28(29,30)31)8-5-13-32-27/h2-8,13-17,20-21H,9-12H2,1H3,(H,33,35).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?
3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 533.56 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-phenyl-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).