2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide

C31H28N4O — CID 163681474

IUPAC2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1cnc2c(n1)c(C(=O)NC1(C)CC1)cn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28N4O/c1-22-20-32-28-27(33-22)26(29(36)34-30(2)18-19-30)21-35(28)31(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,20-21H,18-19H2,1-2H3,(H,34,36)
InChIKeyJLEZEQRQEKAPGY-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.86
Rot. Bonds6

About 2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide

2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 163681474) has the molecular formula C31H28N4O and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID163681474
Molecular FormulaC31H28N4O
Molecular Weight472.59 g/mol
Exact Mass472.23
IUPAC Name2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1cnc2c(n1)c(C(=O)NC1(C)CC1)cn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28N4O/c1-22-20-32-28-27(33-22)26(29(36)34-30(2)18-19-30)21-35(28)31(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,20-21H,18-19H2,1-2H3,(H,34,36)
InChIKeyJLEZEQRQEKAPGY-UHFFFAOYSA-N
XLogP5.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide (CID 163681474) is 2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1cnc2c(n1)c(C(=O)NC1(C)CC1)cn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JLEZEQRQEKAPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O/c1-22-20-32-28-27(33-22)26(29(36)34-30(2)18-19-30)21-35(28)31(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,20-21H,18-19H2,1-2H3,(H,34,36).
What are the key properties of 2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide?
2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylcyclopropyl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 163681474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).