7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C25H23ClFN5O3 — CID 68690815

IUPAC7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCOc1ccnc(N2CCN(C(=O)c3cc(Cc4c[nH]c(=O)c5cc(Cl)cn45)ccc3F)CC2)c1
InChIInChI=1S/C25H23ClFN5O3/c1-35-19-4-5-28-23(13-19)30-6-8-31(9-7-30)25(34)20-11-16(2-3-21(20)27)10-18-14-29-24(33)22-12-17(26)15-32(18)22/h2-5,11-15H,6-10H2,1H3,(H,29,33)
InChIKeyQXJZJLYMRLJLOT-UHFFFAOYSA-N
MW495.94 g/mol
LogP3.38
Rot. Bonds5

About 7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 68690815) has the molecular formula C25H23ClFN5O3 and a molecular weight of 495.94 g/mol. Its IUPAC name is 7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID68690815
Molecular FormulaC25H23ClFN5O3
Molecular Weight495.94 g/mol
Exact Mass495.15
IUPAC Name7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCOc1ccnc(N2CCN(C(=O)c3cc(Cc4c[nH]c(=O)c5cc(Cl)cn45)ccc3F)CC2)c1
InChIInChI=1S/C25H23ClFN5O3/c1-35-19-4-5-28-23(13-19)30-6-8-31(9-7-30)25(34)20-11-16(2-3-21(20)27)10-18-14-29-24(33)22-12-17(26)15-32(18)22/h2-5,11-15H,6-10H2,1H3,(H,29,33)
InChIKeyQXJZJLYMRLJLOT-UHFFFAOYSA-N
XLogP3.38
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.94
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

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Related Compounds

7-chloro-4-[[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 46230228
7-chloro-4-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 24871907
4-[[4-fluoro-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 24871786
6,7-dichloro-4-[[3-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 87541283
6,7-dichloro-4-[[4-fluoro-3-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 68690993
6,7-dichloro-4-[[4-fluoro-3-[4-[3-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid
CID 171926007
6,7-dichloro-4-[[4-fluoro-3-(4-quinazolin-3-ium-4-ylpiperazine-1-carbonyl)phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetate
CID 87540640
6-chloro-4-[[4-fluoro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 68688973
4-[[3-[4-(1,3-benzothiazol-2-yl)-1,4-diazepane-1-carbonyl]-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 90742867
6,7-dichloro-4-[[4-fluoro-3-[4-(3-methylbutan-2-yl)-1,4-diazepane-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;2,2,2-trifluoroacetic acid
CID 171932071
5-[(6,7-dichloro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-4-yl)methyl]-2-fluorobenzoic acid
CID 68689414
6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 68688088

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 68690815) is 7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is COc1ccnc(N2CCN(C(=O)c3cc(Cc4c[nH]c(=O)c5cc(Cl)cn45)ccc3F)CC2)c1.
What is the InChIKey of 7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is QXJZJLYMRLJLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O3/c1-35-19-4-5-28-23(13-19)30-6-8-31(9-7-30)25(34)20-11-16(2-3-21(20)27)10-18-14-29-24(33)22-12-17(26)15-32(18)22/h2-5,11-15H,6-10H2,1H3,(H,29,33).
What are the key properties of 7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 495.94 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[[4-fluoro-3-[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 68690815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).