N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

C25H26F4N6O — CID 138715200

IUPACN-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C25H26F4N6O/c1-3-30-22-11-20-18(13-31-22)24(15-12-32-34(2)14-15)33-35(20)16-7-9-17(10-8-16)36-21-6-4-5-19(23(21)26)25(27,28)29/h4-6,11-14,16-17H,3,7-10H2,1-2H3,(H,30,31)
InChIKeyVBVXCAQJVMGUKF-UHFFFAOYSA-N
MW502.52 g/mol
LogP5.98
Rot. Bonds6

About N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715200) has the molecular formula C25H26F4N6O and a molecular weight of 502.52 g/mol. Its IUPAC name is N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID138715200
Molecular FormulaC25H26F4N6O
Molecular Weight502.52 g/mol
Exact Mass502.21
IUPAC NameN-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
SMILESCCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(C(F)(F)F)c2F)CC1
InChIInChI=1S/C25H26F4N6O/c1-3-30-22-11-20-18(13-31-22)24(15-12-32-34(2)14-15)33-35(20)16-7-9-17(10-8-16)36-21-6-4-5-19(23(21)26)25(27,28)29/h4-6,11-14,16-17H,3,7-10H2,1-2H3,(H,30,31)
InChIKeyVBVXCAQJVMGUKF-UHFFFAOYSA-N
XLogP5.98
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.52
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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1-(4-(benzyloxy)phenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)urea
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Pyrazolo[1,5-b]pyridazine deriv. 40
CID 6539382
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1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093249
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1-[1-[1-(4-Ethoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
CID 11235455
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715200) is N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(C(F)(F)F)c2F)CC1.
What is the InChIKey of N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is VBVXCAQJVMGUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N6O/c1-3-30-22-11-20-18(13-31-22)24(15-12-32-34(2)14-15)33-35(20)16-7-9-17(10-8-16)36-21-6-4-5-19(23(21)26)25(27,28)29/h4-6,11-14,16-17H,3,7-10H2,1-2H3,(H,30,31).
What are the key properties of N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?
N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 502.52 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).