N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C28H36N4O3 — CID 50757973

IUPACN-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCCN1CCCC1=O
InChIInChI=1S/C28H36N4O3/c1-28(27(35)29-22-12-6-3-7-13-22)20-31-23(21-10-4-2-5-11-21)15-16-24(31)26(34)32(28)19-9-18-30-17-8-14-25(30)33/h2,4-5,10-11,15-16,22H,3,6-9,12-14,17-20H2,1H3,(H,29,35)
InChIKeyBRKAQKRVHZCKCF-UHFFFAOYSA-N
MW476.62 g/mol
LogP3.83
Rot. Bonds7

About N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 50757973) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID50757973
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC NameN-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCCN1CCCC1=O
InChIInChI=1S/C28H36N4O3/c1-28(27(35)29-22-12-6-3-7-13-22)20-31-23(21-10-4-2-5-11-21)15-16-24(31)26(34)32(28)19-9-18-30-17-8-14-25(30)33/h2,4-5,10-11,15-16,22H,3,6-9,12-14,17-20H2,1H3,(H,29,35)
InChIKeyBRKAQKRVHZCKCF-UHFFFAOYSA-N
XLogP3.83
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 50757973) is N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccccc2)C(=O)N1CCCN1CCCC1=O.
What is the InChIKey of N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is BRKAQKRVHZCKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-28(27(35)29-22-12-6-3-7-13-22)20-31-23(21-10-4-2-5-11-21)15-16-24(31)26(34)32(28)19-9-18-30-17-8-14-25(30)33/h2,4-5,10-11,15-16,22H,3,6-9,12-14,17-20H2,1H3,(H,29,35).
What are the key properties of N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 50757973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).