6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide

C15H16ClN3O2 — CID 66585089

IUPAC6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESCOc1ccc(-c2c(C(N)=O)c3n(c2Cl)CCNC3)cc1
InChIInChI=1S/C15H16ClN3O2/c1-21-10-4-2-9(3-5-10)12-13(15(17)20)11-8-18-6-7-19(11)14(12)16/h2-5,18H,6-8H2,1H3,(H2,17,20)
InChIKeyPNLYTQKPSXOVAQ-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.02
Rot. Bonds3

About 6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide

6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide (PubChem CID 66585089) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound Name6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
PubChem CID66585089
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESCOc1ccc(-c2c(C(N)=O)c3n(c2Cl)CCNC3)cc1
InChIInChI=1S/C15H16ClN3O2/c1-21-10-4-2-9(3-5-10)12-13(15(17)20)11-8-18-6-7-19(11)14(12)16/h2-5,18H,6-8H2,1H3,(H2,17,20)
InChIKeyPNLYTQKPSXOVAQ-UHFFFAOYSA-N
XLogP2.02
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-chloro-7-(3-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate
CID 66585038
7-chloro-6-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 68886671
7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84632187
6-methoxy-9-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638111
1-(4-methoxyphenyl)piperazin-2-one
CID 15400020
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
tert-butyl 8-carbamoyl-6-chloro-7-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 66585009
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
2-bromo-3,5-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 142726441
2-chloro-4-(4-methoxyphenyl)benzamide
CID 23360610
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
6-methoxy-8-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84638105

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of 6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide (CID 66585089) is 6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for 6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for 6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide is COc1ccc(-c2c(C(N)=O)c3n(c2Cl)CCNC3)cc1.
What is the InChIKey of 6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is PNLYTQKPSXOVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-21-10-4-2-9(3-5-10)12-13(15(17)20)11-8-18-6-7-19(11)14(12)16/h2-5,18H,6-8H2,1H3,(H2,17,20).
What are the key properties of 6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide?
6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 66585089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).