N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide

C19H18ClN3O5 — CID 7051204

IUPACN-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide
SMILESCOc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@@H](NC(=O)c3ccco3)CCN2C1=O
InChIInChI=1S/C19H18ClN3O5/c1-27-15-5-4-11(20)9-13(15)23-18(25)14-10-12(6-7-22(14)19(23)26)21-17(24)16-3-2-8-28-16/h2-5,8-9,12,14H,6-7,10H2,1H3,(H,21,24)/t12-,14-/m0/s1
InChIKeyCGQRGPGNUMQCNP-JSGCOSHPSA-N
MW403.82 g/mol
LogP2.67
Rot. Bonds4

About N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide

N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide (PubChem CID 7051204) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide
PubChem CID7051204
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC NameN-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide
SMILESCOc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@@H](NC(=O)c3ccco3)CCN2C1=O
InChIInChI=1S/C19H18ClN3O5/c1-27-15-5-4-11(20)9-13(15)23-18(25)14-10-12(6-7-22(14)19(23)26)21-17(24)16-3-2-8-28-16/h2-5,8-9,12,14H,6-7,10H2,1H3,(H,21,24)/t12-,14-/m0/s1
InChIKeyCGQRGPGNUMQCNP-JSGCOSHPSA-N
XLogP2.67
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-hydroxy-2-phenylacetamide
CID 3719033
N-[(7S,8aS)-2-(4-bromophenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide
CID 7051206
N-[2-(4-bromophenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide
CID 3675744
N-[2-[[[[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 111917467
N-[(7S,8aR)-2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-chloropyridine-4-carboxamide
CID 162807827
N-[(7S,8aS)-2-(3,5-dimethoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-2-chloropyridine-4-carboxamide
CID 7050279
2-chloro-N-[2-(3-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
CID 3782760
N-[(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 99801244
N-[(6aS,8S)-2-(4-methoxyphenyl)-6,12-dioxo-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-8-yl]furan-2-carboxamide
CID 26763486
N-[(7R,8aS)-2-(3-chloro-4-fluorophenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]thiophene-2-carboxamide
CID 163087135
[4-chloro-2-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] furan-2-carboxylate
CID 2939288
[4-chloro-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl] furan-2-carboxylate
CID 98225230

Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide?
The IUPAC name of N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide (CID 7051204) is N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide?
The canonical SMILES for N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide is COc1ccc(Cl)cc1N1C(=O)[C@@H]2C[C@@H](NC(=O)c3ccco3)CCN2C1=O.
What is the InChIKey of N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide?
The InChIKey is CGQRGPGNUMQCNP-JSGCOSHPSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-27-15-5-4-11(20)9-13(15)23-18(25)14-10-12(6-7-22(14)19(23)26)21-17(24)16-3-2-8-28-16/h2-5,8-9,12,14H,6-7,10H2,1H3,(H,21,24)/t12-,14-/m0/s1.
What are the key properties of N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide?
N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide has a molecular weight of 403.82 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-2-(5-chloro-2-methoxyphenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]furan-2-carboxamide is sourced from PubChem (CID 7051204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).