4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide

C22H22Cl2FN5O3 — CID 46229804

IUPAC4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
InChIInChI=1S/C22H22Cl2FN5O3/c1-27(2)22(33)29-7-5-28(6-8-29)21(32)15-10-13(3-4-17(15)25)9-14-12-26-20(31)18-11-16(23)19(24)30(14)18/h3-4,10-12H,5-9H2,1-2H3,(H,26,31)
InChIKeyIYZGMTPUQWNOER-UHFFFAOYSA-N
MW494.35 g/mol
LogP3.10
Rot. Bonds3

About 4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide

4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 46229804) has the molecular formula C22H22Cl2FN5O3 and a molecular weight of 494.35 g/mol. Its IUPAC name is 4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID46229804
Molecular FormulaC22H22Cl2FN5O3
Molecular Weight494.35 g/mol
Exact Mass493.11
IUPAC Name4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
InChIInChI=1S/C22H22Cl2FN5O3/c1-27(2)22(33)29-7-5-28(6-8-29)21(32)15-10-13(3-4-17(15)25)9-14-12-26-20(31)18-11-16(23)19(24)30(14)18/h3-4,10-12H,5-9H2,1-2H3,(H,26,31)
InChIKeyIYZGMTPUQWNOER-UHFFFAOYSA-N
XLogP3.10
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide with MolForge

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Related Compounds

Wdr5-IN-4
CID 138319680
2-(4-(5-((6,7-Dichloro-1-oxo-1,2-dihydropyrrolo[1,2-a]pyrazin-4-yl)methyl)-2-fluorobenzoyl)piperazin-1-yl)nicotinonitrile
CID 46229851
4-(3-(4-(azetidin-1-yl)piperidine-1-carbonyl)-4-fluorobenzyl)-6,7-dichloropyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46229995
4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)-7-chloropyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46230228
6,7-dichloro-4-(4-fluoro-3-(4-pivaloylpiperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46230332
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 25189626
6,7-dichloro-4-(4-fluoro-3-(4-(2-methyl-2-(methylamino)propanoyl)piperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46216788
6,7-dichloro-4-(4-fluoro-3-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46216800
6,7-dichloro-4-(4-fluoro-3-(4-(pyrrolidin-1-yl)piperidine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46216812
6,7-dichloro-4-(4-fluoro-3-(piperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46229754
4-(3-(4-butylpiperazine-1-carbonyl)-4-fluorobenzyl)-6,7-dichloropyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46229802
6,7-dichloro-4-(3-(4-(2-(dimethylamino)ethyl)piperazine-1-carbonyl)-4-fluorobenzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46229803

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide (CID 46229804) is 4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1.
What is the InChIKey of 4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is IYZGMTPUQWNOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2FN5O3/c1-27(2)22(33)29-7-5-28(6-8-29)21(32)15-10-13(3-4-17(15)25)9-14-12-26-20(31)18-11-16(23)19(24)30(14)18/h3-4,10-12H,5-9H2,1-2H3,(H,26,31).
What are the key properties of 4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 494.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 46229804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).