(E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol

C17H15N3O — CID 123780561

IUPAC(E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol
SMILESOC/C=C/c1ccc2[nH]nc(C=Cc3cccnc3)c2c1
InChIInChI=1S/C17H15N3O/c21-10-2-4-13-5-7-16-15(11-13)17(20-19-16)8-6-14-3-1-9-18-12-14/h1-9,11-12,21H,10H2,(H,19,20)/b4-2+,8-6?
InChIKeySSDSBHKCSSHDNE-GXXVDKMNSA-N
MW277.33 g/mol
LogP3.13
Rot. Bonds4

About (E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol

(E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol (PubChem CID 123780561) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol
PubChem CID123780561
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol
SMILESOC/C=C/c1ccc2[nH]nc(C=Cc3cccnc3)c2c1
InChIInChI=1S/C17H15N3O/c21-10-2-4-13-5-7-16-15(11-13)17(20-19-16)8-6-14-3-1-9-18-12-14/h1-9,11-12,21H,10H2,(H,19,20)/b4-2+,8-6?
InChIKeySSDSBHKCSSHDNE-GXXVDKMNSA-N
XLogP3.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-prop-1-enyl-3-(2-pyridin-3-ylethenyl)-1H-indazole
CID 77471558
6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine
CID 68933883
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide
CID 70320548
3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole
CID 90971721
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
N-[6-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 59797224
3,5-bis[(E)-2-phenylethenyl]-2H-indazole;tetrakis(carbon dioxide);5-ethenyl-3-[(E)-2-phenylethenyl]-1H-indazole;5-[(E)-2-(4-methylphenyl)ethenyl]-3-[(E)-2-phenylethenyl]-2H-indazole;3-[(E)-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethenyl]benzoic acid;(E)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]prop-2-en-1-ol;3-[(E)-2-phenylethenyl]-5-[(E)-prop-1-enyl]-2H-indazole
CID 176517523
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
1-cyclohexyl-3-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-6-yl]urea
CID 54766879
3-isoquinolin-6-ylprop-2-en-1-ol
CID 169453481

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol (CID 123780561) is (E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol is OC/C=C/c1ccc2[nH]nc(C=Cc3cccnc3)c2c1.
What is the InChIKey of (E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol?
The InChIKey is SSDSBHKCSSHDNE-GXXVDKMNSA-N. The full InChI is InChI=1S/C17H15N3O/c21-10-2-4-13-5-7-16-15(11-13)17(20-19-16)8-6-14-3-1-9-18-12-14/h1-9,11-12,21H,10H2,(H,19,20)/b4-2+,8-6?.
What are the key properties of (E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol?
(E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol has a molecular weight of 277.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(2-pyridin-3-ylethenyl)-1H-indazol-5-yl]prop-2-en-1-ol is sourced from PubChem (CID 123780561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).