(6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide

C19H27N5O5 — CID 155504100

IUPAC(6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCC[C@H]1[C@@H](C(=O)NCCO)C[C@H]2CN(C(=O)CCc3ccc(=O)[nH]n3)CC(=O)N21
InChIInChI=1S/C19H27N5O5/c1-2-15-14(19(29)20-7-8-25)9-13-10-23(11-18(28)24(13)15)17(27)6-4-12-3-5-16(26)22-21-12/h3,5,13-15,25H,2,4,6-11H2,1H3,(H,20,29)(H,22,26)/t13-,14-,15-/m0/s1
InChIKeyVJTJOLIZVLYBNC-KKUMJFAQSA-N
MW405.46 g/mol
LogP-1.35
Rot. Bonds7

About (6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide

(6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 155504100) has the molecular formula C19H27N5O5 and a molecular weight of 405.46 g/mol. Its IUPAC name is (6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID155504100
Molecular FormulaC19H27N5O5
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC Name(6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCC[C@H]1[C@@H](C(=O)NCCO)C[C@H]2CN(C(=O)CCc3ccc(=O)[nH]n3)CC(=O)N21
InChIInChI=1S/C19H27N5O5/c1-2-15-14(19(29)20-7-8-25)9-13-10-23(11-18(28)24(13)15)17(27)6-4-12-3-5-16(26)22-21-12/h3,5,13-15,25H,2,4,6-11H2,1H3,(H,20,29)(H,22,26)/t13-,14-,15-/m0/s1
InChIKeyVJTJOLIZVLYBNC-KKUMJFAQSA-N
XLogP-1.35
TPSA135.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-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)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of (6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide (CID 155504100) is (6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for (6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for (6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide is CC[C@H]1[C@@H](C(=O)NCCO)C[C@H]2CN(C(=O)CCc3ccc(=O)[nH]n3)CC(=O)N21.
What is the InChIKey of (6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is VJTJOLIZVLYBNC-KKUMJFAQSA-N. The full InChI is InChI=1S/C19H27N5O5/c1-2-15-14(19(29)20-7-8-25)9-13-10-23(11-18(28)24(13)15)17(27)6-4-12-3-5-16(26)22-21-12/h3,5,13-15,25H,2,4,6-11H2,1H3,(H,20,29)(H,22,26)/t13-,14-,15-/m0/s1.
What are the key properties of (6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
(6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 405.46 g/mol, XLogP of -1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,8aS)-6-ethyl-N-(2-hydroxyethyl)-4-oxo-2-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 155504100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).