(2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol

C24H21F2NOS — CID 89344345

IUPAC(2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol
SMILESC/C=C\C(=C(C(=C\C)/c1cccs1)\C(O)c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C24H21F2NOS/c1-3-7-20(19-11-10-17(25)14-21(19)26)23(18(4-2)22-9-6-13-29-22)24(28)16-8-5-12-27-15-16/h3-15,24,28H,1-2H3/b7-3-,18-4-,23-20-
InChIKeyYAJMKLJWYKRHJK-AGWBBCKZSA-N
MW409.50 g/mol
LogP6.59
Rot. Bonds6

About (2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol

(2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol (PubChem CID 89344345) has the molecular formula C24H21F2NOS and a molecular weight of 409.50 g/mol. Its IUPAC name is (2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol
PubChem CID89344345
Molecular FormulaC24H21F2NOS
Molecular Weight409.50 g/mol
Exact Mass409.13
IUPAC Name(2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol
SMILESC/C=C\C(=C(C(=C\C)/c1cccs1)\C(O)c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C24H21F2NOS/c1-3-7-20(19-11-10-17(25)14-21(19)26)23(18(4-2)22-9-6-13-29-22)24(28)16-8-5-12-27-15-16/h3-15,24,28H,1-2H3/b7-3-,18-4-,23-20-
InChIKeyYAJMKLJWYKRHJK-AGWBBCKZSA-N
XLogP6.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.50
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z)-3-(4-chloro-2-fluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol
CID 89344065
2-[1-(4-chloro-2-fluorophenyl)prop-1-enyl]-3-(3-fluorophenyl)-4-methyl-1-pyridin-3-ylhex-2-en-1-ol
CID 91519784
[2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 67438518
(5-fluoro-2-methylphenyl)-pyridin-3-ylmethanol
CID 62388574
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
CID 108573971
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
(Z)-1-pyridin-3-ylbut-2-en-1-ol
CID 45079933
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
CID 93312266
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192
4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-4-thiophen-2-ylbutanamide
CID 40953428

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol?
The IUPAC name of (2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol (CID 89344345) is (2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol.
What is the SMILES notation for (2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol?
The canonical SMILES for (2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol is C/C=C\C(=C(C(=C\C)/c1cccs1)\C(O)c1cccnc1)c1ccc(F)cc1F.
What is the InChIKey of (2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol?
The InChIKey is YAJMKLJWYKRHJK-AGWBBCKZSA-N. The full InChI is InChI=1S/C24H21F2NOS/c1-3-7-20(19-11-10-17(25)14-21(19)26)23(18(4-2)22-9-6-13-29-22)24(28)16-8-5-12-27-15-16/h3-15,24,28H,1-2H3/b7-3-,18-4-,23-20-.
What are the key properties of (2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol?
(2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol has a molecular weight of 409.50 g/mol, XLogP of 6.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-(2,4-difluorophenyl)-1-pyridin-3-yl-2-[(E)-1-thiophen-2-ylprop-1-enyl]hexa-2,4-dien-1-ol is sourced from PubChem (CID 89344345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).