N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

C28H38F3N3O — CID 178040644

IUPACN-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)c1cc2n(n1)CCCC2N/C(C)=C/C=C\C(=C\CC)OCC
InChIInChI=1S/C28H38F3N3O/c1-6-12-22(19-23(13-7-2)28(29,30)31)26-20-27-25(17-11-18-34(27)33-26)32-21(5)15-10-16-24(14-8-3)35-9-4/h6,10,12-16,19-20,25,32H,7-9,11,17-18H2,1-5H3/b12-6-,16-10-,21-15+,22-19+,23-13-,24-14-
InChIKeyWUWBMHVKHAXXSX-KSVOXYFWSA-N
MW489.63 g/mol
LogP7.96
Rot. Bonds11

About N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 178040644) has the molecular formula C28H38F3N3O and a molecular weight of 489.63 g/mol. Its IUPAC name is N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

Compound NameN-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
PubChem CID178040644
Molecular FormulaC28H38F3N3O
Molecular Weight489.63 g/mol
Exact Mass489.30
IUPAC NameN-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)c1cc2n(n1)CCCC2N/C(C)=C/C=C\C(=C\CC)OCC
InChIInChI=1S/C28H38F3N3O/c1-6-12-22(19-23(13-7-2)28(29,30)31)26-20-27-25(17-11-18-34(27)33-26)32-21(5)15-10-16-24(14-8-3)35-9-4/h6,10,12-16,19-20,25,32H,7-9,11,17-18H2,1-5H3/b12-6-,16-10-,21-15+,22-19+,23-13-,24-14-
InChIKeyWUWBMHVKHAXXSX-KSVOXYFWSA-N
XLogP7.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.63
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine with MolForge

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Related Compounds

N-(4-propan-2-yloxypyrimidin-2-yl)-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 178040219
2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4-[4-(trifluoromethyl)phenyl]sulfanyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 178040066
2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4-[4-(trifluoromethyl)phenoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 178040046
N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 178040632
(2E,4Z,6Z)-6-(trifluoromethyl)deca-2,4,6-trien-2-ol;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 178040823
N'-ethenyl-2-methylprop-2-enimidamide;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 178040196
N-methyl-6-(trifluoromethoxy)pyridin-2-amine;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 178040663
3-methanimidoyl-4-N-methylpyridine-2,4-diamine;2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 178040524
2-[(2E,4Z,6Z)-3-fluoro-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 178040173
2-[(2Z,4E,6E)-6-cyclopropylnona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 178040741
4-fluoro-N-[3-methyl-2-[(4E,6Z)-2-methyl-4-[(Z)-prop-1-enyl]-6-(trifluoromethyl)nona-2,4,6-trien-3-yl]oxycyclohex-2-en-1-yl]aniline
CID 178040895
4-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 165457908

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The IUPAC name of N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 178040644) is N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.
What is the SMILES notation for N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The canonical SMILES for N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is C/C=C\C(=C/C(=C/CC)C(F)(F)F)c1cc2n(n1)CCCC2N/C(C)=C/C=C\C(=C\CC)OCC.
What is the InChIKey of N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The InChIKey is WUWBMHVKHAXXSX-KSVOXYFWSA-N. The full InChI is InChI=1S/C28H38F3N3O/c1-6-12-22(19-23(13-7-2)28(29,30)31)26-20-27-25(17-11-18-34(27)33-26)32-21(5)15-10-16-24(14-8-3)35-9-4/h6,10,12-16,19-20,25,32H,7-9,11,17-18H2,1-5H3/b12-6-,16-10-,21-15+,22-19+,23-13-,24-14-.
What are the key properties of N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 489.63 g/mol, XLogP of 7.96, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z,6Z)-6-ethoxynona-2,4,6-trien-2-yl]-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 178040644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).