2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H18ClN5O2 — CID 129024460

IUPAC2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC1(CNC(=O)c2c[nH]c3ncc(-c4ccccc4Cl)nc23)CCC(=O)N1
InChIInChI=1S/C19H18ClN5O2/c1-19(7-6-15(26)25-19)10-23-18(27)12-8-21-17-16(12)24-14(9-22-17)11-4-2-3-5-13(11)20/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)(H,23,27)(H,25,26)
InChIKeyZIRTVWJBRLIMHX-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.68
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 129024460) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID129024460
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC1(CNC(=O)c2c[nH]c3ncc(-c4ccccc4Cl)nc23)CCC(=O)N1
InChIInChI=1S/C19H18ClN5O2/c1-19(7-6-15(26)25-19)10-23-18(27)12-8-21-17-16(12)24-14(9-22-17)11-4-2-3-5-13(11)20/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)(H,23,27)(H,25,26)
InChIKeyZIRTVWJBRLIMHX-UHFFFAOYSA-N
XLogP2.68
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 129024460) is 2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC1(CNC(=O)c2c[nH]c3ncc(-c4ccccc4Cl)nc23)CCC(=O)N1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ZIRTVWJBRLIMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-19(7-6-15(26)25-19)10-23-18(27)12-8-21-17-16(12)24-14(9-22-17)11-4-2-3-5-13(11)20/h2-5,8-9H,6-7,10H2,1H3,(H,21,22)(H,23,27)(H,25,26).
What are the key properties of 2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(2-methyl-5-oxopyrrolidin-2-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 129024460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).