(4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

C20H25N3O3 — CID 102402693

IUPAC(4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCOc1ccc(N2C(=O)[C@H](C)n3cccc3C2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H25N3O3/c1-13-19(25)23(14-8-10-15(26-5)11-9-14)17(16-7-6-12-22(13)16)18(24)21-20(2,3)4/h6-13,17H,1-5H3,(H,21,24)/t13-,17?/m0/s1
InChIKeyDDTSZRIZCNWEKS-CWQZNGJJSA-N
MW355.44 g/mol
LogP3.06
Rot. Bonds3

About (4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

(4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (PubChem CID 102402693) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name(4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
PubChem CID102402693
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCOc1ccc(N2C(=O)[C@H](C)n3cccc3C2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H25N3O3/c1-13-19(25)23(14-8-10-15(26-5)11-9-14)17(16-7-6-12-22(13)16)18(24)21-20(2,3)4/h6-13,17H,1-5H3,(H,21,24)/t13-,17?/m0/s1
InChIKeyDDTSZRIZCNWEKS-CWQZNGJJSA-N
XLogP3.06
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The IUPAC name of (4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (CID 102402693) is (4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.
What is the SMILES notation for (4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The canonical SMILES for (4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is COc1ccc(N2C(=O)[C@H](C)n3cccc3C2C(=O)NC(C)(C)C)cc1.
What is the InChIKey of (4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The InChIKey is DDTSZRIZCNWEKS-CWQZNGJJSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-19(25)23(14-8-10-15(26-5)11-9-14)17(16-7-6-12-22(13)16)18(24)21-20(2,3)4/h6-13,17H,1-5H3,(H,21,24)/t13-,17?/m0/s1.
What are the key properties of (4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
(4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-tert-butyl-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is sourced from PubChem (CID 102402693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).