6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile

C25H19Cl2FN6O2 — CID 46229887

IUPAC6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)c3cc(Cc4c[nH]c(=O)c5cc(Cl)c(Cl)n45)ccc3F)CC2)nc1
InChIInChI=1S/C25H19Cl2FN6O2/c26-19-11-21-24(35)31-14-17(34(21)23(19)27)9-15-1-3-20(28)18(10-15)25(36)33-7-5-32(6-8-33)22-4-2-16(12-29)13-30-22/h1-4,10-11,13-14H,5-9H2,(H,31,35)
InChIKeyNIGYPPWMILKYQR-UHFFFAOYSA-N
MW525.37 g/mol
LogP3.89
Rot. Bonds4

About 6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 46229887) has the molecular formula C25H19Cl2FN6O2 and a molecular weight of 525.37 g/mol. Its IUPAC name is 6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID46229887
Molecular FormulaC25H19Cl2FN6O2
Molecular Weight525.37 g/mol
Exact Mass524.09
IUPAC Name6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(C(=O)c3cc(Cc4c[nH]c(=O)c5cc(Cl)c(Cl)n45)ccc3F)CC2)nc1
InChIInChI=1S/C25H19Cl2FN6O2/c26-19-11-21-24(35)31-14-17(34(21)23(19)27)9-15-1-3-20(28)18(10-15)25(36)33-7-5-32(6-8-33)22-4-2-16(12-29)13-30-22/h1-4,10-11,13-14H,5-9H2,(H,31,35)
InChIKeyNIGYPPWMILKYQR-UHFFFAOYSA-N
XLogP3.89
TPSA97.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

1H-Indole-1-acetamide, N-(5-chloro-2-pyridinyl)-2-[[[1-(1-methylethyl)-4-piperidinyl]amino]carbonyl]-
CID 10095455
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
6,7-dichloro-4-(4-fluoro-3-(4-(quinazolin-2-yl)piperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46229944
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 3759651
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 3839471
(3,4-Dichlorophenyl)-[4-[[(6-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10575228
N-[2-(4-chlorophenyl)ethyl]-4-(6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)butanamide
CID 16018867
3-(4-fluorophenyl)-N,1-dimethyl-5-piperazin-1-yl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 44419810
4-(5-((6,7-dichloro-1-oxo-1,2-dihydropyrrolo[1,2-a]pyrazin-4-yl)methyl)-2-fluorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 46229804
6,7-dichloro-4-(4-fluoro-3-(4-(pyridin-2-yl)piperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46229849
6,7-dichloro-4-(4-fluoro-3-(4-(pyrimidin-2-yl)piperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46229850
6,7-dichloro-4-(4-fluoro-3-(4-(isoquinolin-3-yl)piperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46229889

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 46229887) is 6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(C(=O)c3cc(Cc4c[nH]c(=O)c5cc(Cl)c(Cl)n45)ccc3F)CC2)nc1.
What is the InChIKey of 6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is NIGYPPWMILKYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2FN6O2/c26-19-11-21-24(35)31-14-17(34(21)23(19)27)9-15-1-3-20(28)18(10-15)25(36)33-7-5-32(6-8-33)22-4-2-16(12-29)13-30-22/h1-4,10-11,13-14H,5-9H2,(H,31,35).
What are the key properties of 6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 525.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 46229887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).