[4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone

C21H26N2O — CID 142308198

IUPAC[4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone
SMILESC/C=C(\C)C1CCC(C(=O)c2c(C3CC3)ccn3cncc23)CC1
InChIInChI=1S/C21H26N2O/c1-3-14(2)15-4-8-17(9-5-15)21(24)20-18(16-6-7-16)10-11-23-13-22-12-19(20)23/h3,10-13,15-17H,4-9H2,1-2H3/b14-3+
InChIKeyANSCWOOZHZZBPO-LZWSPWQCSA-N
MW322.45 g/mol
LogP5.17
Rot. Bonds4

About [4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone

[4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone (PubChem CID 142308198) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is [4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone.

Molecular Properties

Compound Name[4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone
PubChem CID142308198
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name[4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone
SMILESC/C=C(\C)C1CCC(C(=O)c2c(C3CC3)ccn3cncc23)CC1
InChIInChI=1S/C21H26N2O/c1-3-14(2)15-4-8-17(9-5-15)21(24)20-18(16-6-7-16)10-11-23-13-22-12-19(20)23/h3,10-13,15-17H,4-9H2,1-2H3/b14-3+
InChIKeyANSCWOOZHZZBPO-LZWSPWQCSA-N
XLogP5.17
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone with MolForge

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Related Compounds

(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(4-methylphenyl)cyclohexyl]methanone;hydrofluoride
CID 142308373
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(3-fluorophenyl)cyclohexyl]methanone
CID 134381318
CID 158291014
CID 158291014
CID 160925822
CID 160925822
(1R)-2-cyclohexyl-1-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)ethanol
CID 134337836
1-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-2-[(3R)-3,4-dimethylcyclopentyl]propan-1-ol
CID 155329630
methyl 1-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexane-1-carboxylate
CID 122609671
4-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]cyclohexan-1-ol
CID 122605011
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(oxan-4-yl)methanol
CID 155329615
3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]benzoic acid
CID 134328666
N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide
CID 165004288
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol
CID 134381351

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone?
The IUPAC name of [4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone (CID 142308198) is [4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone.
What is the SMILES notation for [4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone?
The canonical SMILES for [4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone is C/C=C(\C)C1CCC(C(=O)c2c(C3CC3)ccn3cncc23)CC1.
What is the InChIKey of [4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone?
The InChIKey is ANSCWOOZHZZBPO-LZWSPWQCSA-N. The full InChI is InChI=1S/C21H26N2O/c1-3-14(2)15-4-8-17(9-5-15)21(24)20-18(16-6-7-16)10-11-23-13-22-12-19(20)23/h3,10-13,15-17H,4-9H2,1-2H3/b14-3+.
What are the key properties of [4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone?
[4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone has a molecular weight of 322.45 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-but-2-en-2-yl]cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone is sourced from PubChem (CID 142308198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).