N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide

C22H25F2N3O2 — CID 72696777

IUPACN-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
SMILESO=C(CC1CNC(=O)c2cc(-c3ccc(F)c(F)c3)cn21)NCC1CCCCC1
InChIInChI=1S/C22H25F2N3O2/c23-18-7-6-15(8-19(18)24)16-9-20-22(29)26-12-17(27(20)13-16)10-21(28)25-11-14-4-2-1-3-5-14/h6-9,13-14,17H,1-5,10-12H2,(H,25,28)(H,26,29)
InChIKeySGXRBZAUSKURHK-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.80
Rot. Bonds5

About N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide

N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide (PubChem CID 72696777) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
PubChem CID72696777
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC NameN-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide
SMILESO=C(CC1CNC(=O)c2cc(-c3ccc(F)c(F)c3)cn21)NCC1CCCCC1
InChIInChI=1S/C22H25F2N3O2/c23-18-7-6-15(8-19(18)24)16-9-20-22(29)26-12-17(27(20)13-16)10-21(28)25-11-14-4-2-1-3-5-14/h6-9,13-14,17H,1-5,10-12H2,(H,25,28)(H,26,29)
InChIKeySGXRBZAUSKURHK-UHFFFAOYSA-N
XLogP3.80
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide (CID 72696777) is N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide is O=C(CC1CNC(=O)c2cc(-c3ccc(F)c(F)c3)cn21)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
The InChIKey is SGXRBZAUSKURHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c23-18-7-6-15(8-19(18)24)16-9-20-22(29)26-12-17(27(20)13-16)10-21(28)25-11-14-4-2-1-3-5-14/h6-9,13-14,17H,1-5,10-12H2,(H,25,28)(H,26,29).
What are the key properties of N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide?
N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide has a molecular weight of 401.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide is sourced from PubChem (CID 72696777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).