1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one

C24H26N4O2 — CID 59540869

IUPAC1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one
SMILESCC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCCC5=O)c4)nc23)CCCCC1
InChIInChI=1S/C24H26N4O2/c1-24(10-3-2-4-11-24)22(30)18-14-25-23-21(18)27-19(15-26-23)16-7-5-8-17(13-16)28-12-6-9-20(28)29/h5,7-8,13-15H,2-4,6,9-12H2,1H3,(H,25,26)
InChIKeyJOMOCIQERCLVGP-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.90
Rot. Bonds4

About 1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one

1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one (PubChem CID 59540869) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one
PubChem CID59540869
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one
SMILESCC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCCC5=O)c4)nc23)CCCCC1
InChIInChI=1S/C24H26N4O2/c1-24(10-3-2-4-11-24)22(30)18-14-25-23-21(18)27-19(15-26-23)16-7-5-8-17(13-16)28-12-6-9-20(28)29/h5,7-8,13-15H,2-4,6,9-12H2,1H3,(H,25,26)
InChIKeyJOMOCIQERCLVGP-UHFFFAOYSA-N
XLogP4.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one (CID 59540869) is 1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one is CC1(C(=O)c2c[nH]c3ncc(-c4cccc(N5CCCC5=O)c4)nc23)CCCCC1.
What is the InChIKey of 1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one?
The InChIKey is JOMOCIQERCLVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-24(10-3-2-4-11-24)22(30)18-14-25-23-21(18)27-19(15-26-23)16-7-5-8-17(13-16)28-12-6-9-20(28)29/h5,7-8,13-15H,2-4,6,9-12H2,1H3,(H,25,26).
What are the key properties of 1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one?
1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one has a molecular weight of 402.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-(1-methylcyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 59540869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).