5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole

C18H16FN3 — CID 139563370

IUPAC5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole
SMILESC=C(CCC(=C)c1ncccc1F)c1ccc2[nH]ncc2c1
InChIInChI=1S/C18H16FN3/c1-12(14-7-8-17-15(10-14)11-21-22-17)5-6-13(2)18-16(19)4-3-9-20-18/h3-4,7-11H,1-2,5-6H2,(H,21,22)
InChIKeyLHXZZADFFGVRKG-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.60
Rot. Bonds5

About 5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole

5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole (PubChem CID 139563370) has the molecular formula C18H16FN3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole.

Molecular Properties

Compound Name5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole
PubChem CID139563370
Molecular FormulaC18H16FN3
Molecular Weight293.34 g/mol
Exact Mass293.13
IUPAC Name5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole
SMILESC=C(CCC(=C)c1ncccc1F)c1ccc2[nH]ncc2c1
InChIInChI=1S/C18H16FN3/c1-12(14-7-8-17-15(10-14)11-21-22-17)5-6-13(2)18-16(19)4-3-9-20-18/h3-4,7-11H,1-2,5-6H2,(H,21,22)
InChIKeyLHXZZADFFGVRKG-UHFFFAOYSA-N
XLogP4.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-pyridazin-4-ylhexa-1,5-dien-2-yl)-1H-indazole
CID 139563365
5-(5-thiophen-2-ylhexa-1,5-dien-2-yl)-1H-indazole
CID 139563228
5-[5-(2-methylphenyl)hexa-1,5-dien-2-yl]-1H-indazole
CID 139563240
1-(3-chloro-2-pyridinyl)-4-(1H-indazol-5-yl)butane-1,4-dione
CID 90371116
1-(1H-indazol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione
CID 90371162
2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]-3-(trifluoromethyl)pyridine
CID 139563388
(6-fluoro-1H-indazol-5-yl)methanol
CID 76846377
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]-1H-indazole
CID 122478455
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1H-indazol-5-yl)methanone
CID 166197233
N'-amino-1H-indazole-5-carboximidamide
CID 69029061
(NE)-N-[1-(1H-indazol-5-yl)ethylidene]hydroxylamine
CID 87086002

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole?
The IUPAC name of 5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole (CID 139563370) is 5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole.
What is the SMILES notation for 5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole?
The canonical SMILES for 5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole is C=C(CCC(=C)c1ncccc1F)c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole?
The InChIKey is LHXZZADFFGVRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c1-12(14-7-8-17-15(10-14)11-21-22-17)5-6-13(2)18-16(19)4-3-9-20-18/h3-4,7-11H,1-2,5-6H2,(H,21,22).
What are the key properties of 5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole?
5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole has a molecular weight of 293.34 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-fluoro-2-pyridinyl)hexa-1,5-dien-2-yl]-1H-indazole is sourced from PubChem (CID 139563370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).