1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

C25H23N5O3S — CID 56666698

IUPAC1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1
InChIInChI=1S/C25H23N5O3S/c31-23-21-14-28(24(32)27-19-7-4-9-26-22(19)17-8-12-34-15-17)10-11-29(21)25(33)30(23)20-13-18(20)16-5-2-1-3-6-16/h1-9,12,15,18,20-21H,10-11,13-14H2,(H,27,32)/t18-,20+,21?/m1/s1
InChIKeyLETJYZXNYCRDPZ-LGWYJFNUSA-N
MW473.56 g/mol
LogP3.85
Rot. Bonds4

About 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 56666698) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID56666698
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
SMILESO=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1
InChIInChI=1S/C25H23N5O3S/c31-23-21-14-28(24(32)27-19-7-4-9-26-22(19)17-8-12-34-15-17)10-11-29(21)25(33)30(23)20-13-18(20)16-5-2-1-3-6-16/h1-9,12,15,18,20-21H,10-11,13-14H2,(H,27,32)/t18-,20+,21?/m1/s1
InChIKeyLETJYZXNYCRDPZ-LGWYJFNUSA-N
XLogP3.85
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenyl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56659806
1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-propan-2-ylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56663080
1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylpyrazol-3-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 53363477
(8aS)-2-[2-(4-methoxyphenyl)cyclopropyl]-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 126686377
1,3-dioxo-2-(2-phenylcyclopropyl)-N-(4-phenylmethoxyphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 126686450
(8aS)-N-(4-chloro-2-methoxy-3-pyridinyl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 126686343
(8aS)-N-(1-methyl-3-phenylpiperidin-4-yl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 126686457
(8aS)-7-(2,2-dimethylbutanoyl)-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 126686325
(8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(3-phenylpiperidin-1-ium-4-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetate
CID 67300038
1,3-dioxo-2-(2-phenylethyl)-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56659601
2-naphthalen-1-yl-1,3-dioxo-N-(2-phenylphenyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56676765
(2-phenyl-3-pyridinyl)carbamic acid
CID 67312997

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide (CID 56666698) is 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is O=C(Nc1cccnc1-c1ccsc1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)C2C1.
What is the InChIKey of 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is LETJYZXNYCRDPZ-LGWYJFNUSA-N. The full InChI is InChI=1S/C25H23N5O3S/c31-23-21-14-28(24(32)27-19-7-4-9-26-22(19)17-8-12-34-15-17)10-11-29(21)25(33)30(23)20-13-18(20)16-5-2-1-3-6-16/h1-9,12,15,18,20-21H,10-11,13-14H2,(H,27,32)/t18-,20+,21?/m1/s1.
What are the key properties of 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide?
1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-thiophen-3-yl-3-pyridinyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 56666698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).