(2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile

C24H28ClN3 — CID 142302514

IUPAC(2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile
SMILESC=C(Cl)/C(C#N)=C(\C=C/C)c1[nH]c2ccc(C3CCNCC3)cc2c1C(C)C
InChIInChI=1S/C24H28ClN3/c1-5-6-19(21(14-26)16(4)25)24-23(15(2)3)20-13-18(7-8-22(20)28-24)17-9-11-27-12-10-17/h5-8,13,15,17,27-28H,4,9-12H2,1-3H3/b6-5-,21-19+
InChIKeyIYHWCXGZSHFHKP-LJYPVCGZSA-N
MW393.96 g/mol
LogP6.36
Rot. Bonds5

About (2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile

(2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile (PubChem CID 142302514) has the molecular formula C24H28ClN3 and a molecular weight of 393.96 g/mol. Its IUPAC name is (2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile
PubChem CID142302514
Molecular FormulaC24H28ClN3
Molecular Weight393.96 g/mol
Exact Mass393.20
IUPAC Name(2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile
SMILESC=C(Cl)/C(C#N)=C(\C=C/C)c1[nH]c2ccc(C3CCNCC3)cc2c1C(C)C
InChIInChI=1S/C24H28ClN3/c1-5-6-19(21(14-26)16(4)25)24-23(15(2)3)20-13-18(7-8-22(20)28-24)17-9-11-27-12-10-17/h5-8,13,15,17,27-28H,4,9-12H2,1-3H3/b6-5-,21-19+
InChIKeyIYHWCXGZSHFHKP-LJYPVCGZSA-N
XLogP6.36
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile 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

2-[(3E,5E)-2-methyl-6-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-4-yl]-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134343761
2-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indole
CID 134343762
2-(5-chloro-2-fluoro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134330056
[4-[2-[(3E)-2-methylhepta-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 142302550
1-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-prop-1-en-2-ylpyridin-2-one
CID 137464469
5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
CID 134330320
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 142594728
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 142594027
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole
CID 142593838
7-chloro-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594371
2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134329624
1-[4-[2-[(3E,5Z)-6,7-dimethylnona-1,3,5-trien-4-yl]-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 142302558

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile?
The IUPAC name of (2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile (CID 142302514) is (2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile.
What is the SMILES notation for (2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile?
The canonical SMILES for (2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile is C=C(Cl)/C(C#N)=C(\C=C/C)c1[nH]c2ccc(C3CCNCC3)cc2c1C(C)C.
What is the InChIKey of (2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile?
The InChIKey is IYHWCXGZSHFHKP-LJYPVCGZSA-N. The full InChI is InChI=1S/C24H28ClN3/c1-5-6-19(21(14-26)16(4)25)24-23(15(2)3)20-13-18(7-8-22(20)28-24)17-9-11-27-12-10-17/h5-8,13,15,17,27-28H,4,9-12H2,1-3H3/b6-5-,21-19+.
What are the key properties of (2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile?
(2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile has a molecular weight of 393.96 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-(1-chloroethenyl)-3-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)hexa-2,4-dienenitrile is sourced from PubChem (CID 142302514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).