(6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide

C20H24N6O3 — CID 154817295

IUPAC(6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCC[C@H]1[C@@H](C(=O)NC2CC2)C[C@H]2CN(C(=O)c3cn4cccnc4n3)CC(=O)N21
InChIInChI=1S/C20H24N6O3/c1-2-16-14(18(28)22-12-4-5-12)8-13-9-25(11-17(27)26(13)16)19(29)15-10-24-7-3-6-21-20(24)23-15/h3,6-7,10,12-14,16H,2,4-5,8-9,11H2,1H3,(H,22,28)/t13-,14-,16-/m0/s1
InChIKeyFMXVLIMTUKZUIZ-DZKIICNBSA-N
MW396.45 g/mol
LogP0.46
Rot. Bonds4

About (6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide

(6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 154817295) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is (6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID154817295
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name(6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCC[C@H]1[C@@H](C(=O)NC2CC2)C[C@H]2CN(C(=O)c3cn4cccnc4n3)CC(=O)N21
InChIInChI=1S/C20H24N6O3/c1-2-16-14(18(28)22-12-4-5-12)8-13-9-25(11-17(27)26(13)16)19(29)15-10-24-7-3-6-21-20(24)23-15/h3,6-7,10,12-14,16H,2,4-5,8-9,11H2,1H3,(H,22,28)/t13-,14-,16-/m0/s1
InChIKeyFMXVLIMTUKZUIZ-DZKIICNBSA-N
XLogP0.46
TPSA99.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of (6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide (CID 154817295) is (6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for (6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for (6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide is CC[C@H]1[C@@H](C(=O)NC2CC2)C[C@H]2CN(C(=O)c3cn4cccnc4n3)CC(=O)N21.
What is the InChIKey of (6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is FMXVLIMTUKZUIZ-DZKIICNBSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-2-16-14(18(28)22-12-4-5-12)8-13-9-25(11-17(27)26(13)16)19(29)15-10-24-7-3-6-21-20(24)23-15/h3,6-7,10,12-14,16H,2,4-5,8-9,11H2,1H3,(H,22,28)/t13-,14-,16-/m0/s1.
What are the key properties of (6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
(6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8aS)-N-cyclopropyl-6-ethyl-2-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 154817295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).