N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C23H23Cl2N3O — CID 4113838

IUPACN-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)c1ccc(C2c3cccn3CCN2C(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H23Cl2N3O/c1-15(2)16-8-10-17(11-9-16)22-20-7-4-12-27(20)13-14-28(22)23(29)26-21-18(24)5-3-6-19(21)25/h3-12,15,22H,13-14H2,1-2H3,(H,26,29)
InChIKeyZSLYBMAXNMZZCZ-UHFFFAOYSA-N
MW428.36 g/mol
LogP6.56
Rot. Bonds3

About N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 4113838) has the molecular formula C23H23Cl2N3O and a molecular weight of 428.36 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID4113838
Molecular FormulaC23H23Cl2N3O
Molecular Weight428.36 g/mol
Exact Mass427.12
IUPAC NameN-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC(C)c1ccc(C2c3cccn3CCN2C(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H23Cl2N3O/c1-15(2)16-8-10-17(11-9-16)22-20-7-4-12-27(20)13-14-28(22)23(29)26-21-18(24)5-3-6-19(21)25/h3-12,15,22H,13-14H2,1-2H3,(H,26,29)
InChIKeyZSLYBMAXNMZZCZ-UHFFFAOYSA-N
XLogP6.56
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4609321
(1R)-1-(4-chlorophenyl)-N-(2,6-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589583
(1R)-N,1-bis(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589543
(1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387626
1-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4120193
(1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387364
(1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 8670304
ethyl 4-oxo-4-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]butanoate
CID 4125081
(1S)-N-(3,4-dichlorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387321
1-(4-methylphenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810920
1-(4-chlorophenyl)-N-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810849
N-(3-methylphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810939

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 4113838) is N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CC(C)c1ccc(C2c3cccn3CCN2C(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is ZSLYBMAXNMZZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O/c1-15(2)16-8-10-17(11-9-16)22-20-7-4-12-27(20)13-14-28(22)23(29)26-21-18(24)5-3-6-19(21)25/h3-12,15,22H,13-14H2,1-2H3,(H,26,29).
What are the key properties of N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 428.36 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 4113838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).