(8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide

C24H32N4O4 — CID 173179606

IUPAC(8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide
SMILESNC(=O)[C@]12CCCCN1C(=O)N(c1ccc(C3(CCN4CCOCC4)CCC3)cc1)C2=O
InChIInChI=1S/C24H32N4O4/c25-20(29)24-10-1-2-12-27(24)22(31)28(21(24)30)19-6-4-18(5-7-19)23(8-3-9-23)11-13-26-14-16-32-17-15-26/h4-7H,1-3,8-17H2,(H2,25,29)/t24-/m0/s1
InChIKeyXRXPUARESJVTCK-DEOSSOPVSA-N
MW440.54 g/mol
LogP2.01
Rot. Bonds6

About (8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide

(8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide (PubChem CID 173179606) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is (8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide.

Molecular Properties

Compound Name(8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide
PubChem CID173179606
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name(8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide
SMILESNC(=O)[C@]12CCCCN1C(=O)N(c1ccc(C3(CCN4CCOCC4)CCC3)cc1)C2=O
InChIInChI=1S/C24H32N4O4/c25-20(29)24-10-1-2-12-27(24)22(31)28(21(24)30)19-6-4-18(5-7-19)23(8-3-9-23)11-13-26-14-16-32-17-15-26/h4-7H,1-3,8-17H2,(H2,25,29)/t24-/m0/s1
InChIKeyXRXPUARESJVTCK-DEOSSOPVSA-N
XLogP2.01
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(7aS)-2-[4-[1-(morpholin-4-ylmethyl)cyclobutyl]phenyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide
CID 18447897
(7aS)-2-[4-[1-(morpholin-4-ylmethyl)cyclopropyl]phenyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide
CID 18447899
(7aS)-1,3-dioxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-7a-carboxamide
CID 18447875
(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclobutyl]phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
CID 173179672
(7aR)-3-oxo-2-[4-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-1-carboxamide
CID 173179559
4-[2-[1-[4-[3-[hydroxysulfinothioyl(sulfanyl)amino]-2-oxopyrrolidin-1-yl]phenyl]cyclopropyl]ethyl]morpholine
CID 142892139
(7aR)-2-[4-[1-(methoxymethyl)cyclobutyl]phenyl]-3-oxo-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-7a-carboxamide
CID 173179608
1-[2-[1-(4-methylphenyl)cyclopentyl]ethyl]piperidin-4-ol
CID 59020094
1-(2-morpholin-4-ylethyl)cyclopentane-1-carboxylic acid
CID 22660163
4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one
CID 13431360
N-(2-methoxyethyl)-2-[1-(4-methylphenyl)cyclobutyl]ethanamine;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]acetamide;2-[methyl-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]amino]ethanol;N-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]acetamide;2-[2-[1-(4-methylphenyl)cyclobutyl]ethylamino]ethanol;4-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]morpholine;(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol
CID 158379554
(3S)-1-(2-morpholin-4-ylethyl)-6-oxo-N-[(1-phenylcyclohexyl)methyl]piperidine-3-carboxamide
CID 95195230

Frequently Asked Questions

What is the IUPAC name of (8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide?
The IUPAC name of (8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide (CID 173179606) is (8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide.
What is the SMILES notation for (8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide?
The canonical SMILES for (8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide is NC(=O)[C@]12CCCCN1C(=O)N(c1ccc(C3(CCN4CCOCC4)CCC3)cc1)C2=O.
What is the InChIKey of (8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide?
The InChIKey is XRXPUARESJVTCK-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H32N4O4/c25-20(29)24-10-1-2-12-27(24)22(31)28(21(24)30)19-6-4-18(5-7-19)23(8-3-9-23)11-13-26-14-16-32-17-15-26/h4-7H,1-3,8-17H2,(H2,25,29)/t24-/m0/s1.
What are the key properties of (8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide?
(8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-[4-[1-(2-morpholin-4-ylethyl)cyclobutyl]phenyl]-1,3-dioxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8a-carboxamide is sourced from PubChem (CID 173179606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).