N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide

C26H25FN2O2 — CID 143437224

IUPACN-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide
SMILESC=C(/C(C(=CC)c1c[nH]c2cc(C(=O)NC3CC3)ccc12)=C(/C)O)c1ccc(F)cc1
InChIInChI=1S/C26H25FN2O2/c1-4-21(25(16(3)30)15(2)17-5-8-19(27)9-6-17)23-14-28-24-13-18(7-12-22(23)24)26(31)29-20-10-11-20/h4-9,12-14,20,28,30H,2,10-11H2,1,3H3,(H,29,31)/b21-4?,25-16+
InChIKeySUQHUHGQPDFYOM-HQDBGCEPSA-N
MW416.50 g/mol
LogP6.15
Rot. Bonds6

About N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide

N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide (PubChem CID 143437224) has the molecular formula C26H25FN2O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide
PubChem CID143437224
Molecular FormulaC26H25FN2O2
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC NameN-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide
SMILESC=C(/C(C(=CC)c1c[nH]c2cc(C(=O)NC3CC3)ccc12)=C(/C)O)c1ccc(F)cc1
InChIInChI=1S/C26H25FN2O2/c1-4-21(25(16(3)30)15(2)17-5-8-19(27)9-6-17)23-14-28-24-13-18(7-12-22(23)24)26(31)29-20-10-11-20/h4-9,12-14,20,28,30H,2,10-11H2,1,3H3,(H,29,31)/b21-4?,25-16+
InChIKeySUQHUHGQPDFYOM-HQDBGCEPSA-N
XLogP6.15
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 56.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[(E)-3-methoxy-2-(1-phenylethenyl)but-2-enoyl]-1H-pyrrole-2-carboxamide
CID 143434241
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CID 143437188
3-methyl-N-[3-(prop-2-enoylamino)cyclobutyl]-1H-indole-6-carboxamide
CID 172888790
6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide
CID 99825619
3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide
CID 18453185
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
CID 11660998
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206859

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide (CID 143437224) is N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide is C=C(/C(C(=CC)c1c[nH]c2cc(C(=O)NC3CC3)ccc12)=C(/C)O)c1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide?
The InChIKey is SUQHUHGQPDFYOM-HQDBGCEPSA-N. The full InChI is InChI=1S/C26H25FN2O2/c1-4-21(25(16(3)30)15(2)17-5-8-19(27)9-6-17)23-14-28-24-13-18(7-12-22(23)24)26(31)29-20-10-11-20/h4-9,12-14,20,28,30H,2,10-11H2,1,3H3,(H,29,31)/b21-4?,25-16+.
What are the key properties of N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide?
N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 6.15, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4E)-4-[1-(4-fluorophenyl)ethenyl]-5-hydroxyhexa-2,4-dien-3-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 143437224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).