N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide

C22H25Cl2N3O2 — CID 25072020

IUPACN-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(CC(=O)N1CCn2cccc2C1c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C22H25Cl2N3O2/c1-14(2)22(29)27(16-6-7-16)13-20(28)26-11-10-25-9-3-4-19(25)21(26)15-5-8-17(23)18(24)12-15/h3-5,8-9,12,14,16,21H,6-7,10-11,13H2,1-2H3
InChIKeyQSKYBARLLKNOES-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.37
Rot. Bonds5

About N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide

N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide (PubChem CID 25072020) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide
PubChem CID25072020
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC NameN-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(CC(=O)N1CCn2cccc2C1c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C22H25Cl2N3O2/c1-14(2)22(29)27(16-6-7-16)13-20(28)26-11-10-25-9-3-4-19(25)21(26)15-5-8-17(23)18(24)12-15/h3-5,8-9,12,14,16,21H,6-7,10-11,13H2,1-2H3
InChIKeyQSKYBARLLKNOES-UHFFFAOYSA-N
XLogP4.37
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide (CID 25072020) is N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide is CC(C)C(=O)N(CC(=O)N1CCn2cccc2C1c1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is QSKYBARLLKNOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-14(2)22(29)27(16-6-7-16)13-20(28)26-11-10-25-9-3-4-19(25)21(26)15-5-8-17(23)18(24)12-15/h3-5,8-9,12,14,16,21H,6-7,10-11,13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide?
N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 434.37 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 25072020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).