2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine

C24H24N2O2 — CID 67228275

IUPAC2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CCCC(C2=COC=C(C(=CC3CCCC3)c3cc4cccnc4[nH]3)O2)=C1
InChIInChI=1S/C24H24N2O2/c1-2-9-18(10-3-1)22-15-27-16-23(28-22)20(13-17-7-4-5-8-17)21-14-19-11-6-12-25-24(19)26-21/h1-2,6,9,11-17H,3-5,7-8,10H2,(H,25,26)
InChIKeyYLUQTIOWHATEBT-UHFFFAOYSA-N
MW372.47 g/mol
LogP6.14
Rot. Bonds4

About 2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine

2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67228275) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID67228275
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC1=CCCC(C2=COC=C(C(=CC3CCCC3)c3cc4cccnc4[nH]3)O2)=C1
InChIInChI=1S/C24H24N2O2/c1-2-9-18(10-3-1)22-15-27-16-23(28-22)20(13-17-7-4-5-8-17)21-14-19-11-6-12-25-24(19)26-21/h1-2,6,9,11-17H,3-5,7-8,10H2,(H,25,26)
InChIKeyYLUQTIOWHATEBT-UHFFFAOYSA-N
XLogP6.14
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde
CID 123810534
4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline
CID 67227939
2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67229120
2-[2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67228582
2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67228581
4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol
CID 91664681
4-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazol-2-amine
CID 69206577
2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 67228625
4-[8-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxine-2-carbonyl)-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzonitrile
CID 67495541
molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 156715490
2-[2-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-one
CID 69421149
2-[(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)amino]-4-phenylbenzoic acid
CID 68961027

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine (CID 67228275) is 2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine is C1=CCCC(C2=COC=C(C(=CC3CCCC3)c3cc4cccnc4[nH]3)O2)=C1.
What is the InChIKey of 2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YLUQTIOWHATEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-2-9-18(10-3-1)22-15-27-16-23(28-22)20(13-17-7-4-5-8-17)21-14-19-11-6-12-25-24(19)26-21/h1-2,6,9,11-17H,3-5,7-8,10H2,(H,25,26).
What are the key properties of 2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine?
2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 372.47 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67228275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).