7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

C23H29N3O3 — CID 138709808

IUPAC7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESC=C/C(=C\C=C(/C)Cn1c(C)cn2c(C3CCOCC3)ncc2c1=O)OC1CC1
InChIInChI=1S/C23H29N3O3/c1-4-19(29-20-7-8-20)6-5-16(2)14-25-17(3)15-26-21(23(25)27)13-24-22(26)18-9-11-28-12-10-18/h4-6,13,15,18,20H,1,7-12,14H2,2-3H3/b16-5+,19-6+
InChIKeyAUILMQRVJBHKDY-KBWHWTGVSA-N
MW395.50 g/mol
LogP3.89
Rot. Bonds7

About 7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one

7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (PubChem CID 138709808) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
PubChem CID138709808
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
SMILESC=C/C(=C\C=C(/C)Cn1c(C)cn2c(C3CCOCC3)ncc2c1=O)OC1CC1
InChIInChI=1S/C23H29N3O3/c1-4-19(29-20-7-8-20)6-5-16(2)14-25-17(3)15-26-21(23(25)27)13-24-22(26)18-9-11-28-12-10-18/h4-6,13,15,18,20H,1,7-12,14H2,2-3H3/b16-5+,19-6+
InChIKeyAUILMQRVJBHKDY-KBWHWTGVSA-N
XLogP3.89
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

7-(cyclopentylmethyl)-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 122652331
4-methyl-12-(oxan-4-yl)-6-oxa-1,5,11,13-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-3(7),4,9,12,14-pentaen-16-one
CID 153159473
6-bromo-7-[(3-iodophenyl)methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 134468776
7-methyl-6-[[4-(1-methylimidazol-4-yl)phenyl]methyl]-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 134458594
8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 117146255
3-[(Z,2E)-2-ethylidenehex-3-enyl]-2-methyl-7-(oxepan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 145155648
6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine
CID 172745522
3-[(4-methoxyphenyl)methyl]-2-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122637774
3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
CID 122652231
6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
CID 71550717
2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine
CID 91911584
tert-butyl (3S,4S)-3-methyl-4-[3-(oxan-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate
CID 135205203

Frequently Asked Questions

What is the IUPAC name of 7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one (CID 138709808) is 7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is C=C/C(=C\C=C(/C)Cn1c(C)cn2c(C3CCOCC3)ncc2c1=O)OC1CC1.
What is the InChIKey of 7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
The InChIKey is AUILMQRVJBHKDY-KBWHWTGVSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-19(29-20-7-8-20)6-5-16(2)14-25-17(3)15-26-21(23(25)27)13-24-22(26)18-9-11-28-12-10-18/h4-6,13,15,18,20H,1,7-12,14H2,2-3H3/b16-5+,19-6+.
What are the key properties of 7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one?
7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one has a molecular weight of 395.50 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2E,4E)-5-cyclopropyloxy-2-methylhepta-2,4,6-trienyl]-6-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 138709808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).