N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide

C25H21N7O3 — CID 178011936

IUPACN-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCc1c(-c2ccc(-n3cnn(C)c3=O)cc2)cn2ccnc(C(=O)Nc3cccc(C(N)=O)c3)c12
InChIInChI=1S/C25H21N7O3/c1-15-20(16-6-8-19(9-7-16)32-14-28-30(2)25(32)35)13-31-11-10-27-21(22(15)31)24(34)29-18-5-3-4-17(12-18)23(26)33/h3-14H,1-2H3,(H2,26,33)(H,29,34)
InChIKeyDLQOYFIGVALBMZ-UHFFFAOYSA-N
MW467.49 g/mol
LogP2.55
Rot. Bonds5

About N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide

N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide (PubChem CID 178011936) has the molecular formula C25H21N7O3 and a molecular weight of 467.49 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide
PubChem CID178011936
Molecular FormulaC25H21N7O3
Molecular Weight467.49 g/mol
Exact Mass467.17
IUPAC NameN-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESCc1c(-c2ccc(-n3cnn(C)c3=O)cc2)cn2ccnc(C(=O)Nc3cccc(C(N)=O)c3)c12
InChIInChI=1S/C25H21N7O3/c1-15-20(16-6-8-19(9-7-16)32-14-28-30(2)25(32)35)13-31-11-10-27-21(22(15)31)24(34)29-18-5-3-4-17(12-18)23(26)33/h3-14H,1-2H3,(H2,26,33)(H,29,34)
InChIKeyDLQOYFIGVALBMZ-UHFFFAOYSA-N
XLogP2.55
TPSA129.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide (CID 178011936) is N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide is Cc1c(-c2ccc(-n3cnn(C)c3=O)cc2)cn2ccnc(C(=O)Nc3cccc(C(N)=O)c3)c12.
What is the InChIKey of N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide?
The InChIKey is DLQOYFIGVALBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O3/c1-15-20(16-6-8-19(9-7-16)32-14-28-30(2)25(32)35)13-31-11-10-27-21(22(15)31)24(34)29-18-5-3-4-17(12-18)23(26)33/h3-14H,1-2H3,(H2,26,33)(H,29,34).
What are the key properties of N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide?
N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide has a molecular weight of 467.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-8-methyl-7-[4-(1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]pyrrolo[1,2-a]pyrazine-1-carboxamide is sourced from PubChem (CID 178011936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).