2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C142H161BrF3N21O14 — CID 165046112

IUPAC2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCC(=O)C[C@@H](c1cc(Br)cc(C(C)(C)C)c1)N1CCn2cc(CCc3ccc4c(n3)NCCC4)cc2C1=O.COc1ccc([C@@H](CC(C)=O)N2CCn3cc(CCc4ccc5c(n4)NCCC5)cc3C2=O)cc1F.COc1ccc([C@H](CC(C)=O)N2CCn3cc(CCC4CCc5cccnc5N4)cc3C2=O)cc1F.COc1ccc([C@H](CC(C)=O)N2CCn3cc(CCc4ccc5c(n4)NCCC5)cc3C2=O)cc1F.COc1ccc([C@H](CC(C)=O)N2CCn3cc(CCc4ccc5c(n4)NCCC5)cc3C2=O)cn1
InChIInChI=1S/C31H37BrN4O2.3C28H31FN4O3.C27H31N5O3/c1-20(37)14-27(23-16-24(31(2,3)4)18-25(32)17-23)36-13-12-35-19-21(15-28(35)30(36)38)7-9-26-10-8-22-6-5-11-33-29(22)34-26;3*1-18(34)14-24(21-7-10-26(36-2)23(29)16-21)33-13-12-32-17-19(15-25(32)28(33)35)5-8-22-9-6-20-4-3-11-30-27(20)31-22;1-18(33)14-23(21-7-10-25(35-2)29-16-21)32-13-12-31-17-19(15-24(31)27(32)34)5-8-22-9-6-20-4-3-11-28-26(20)30-22/h8,10,15-19,27H,5-7,9,11-14H2,1-4H3,(H,33,34);2*6-7,9-10,15-17,24H,3-5,8,11-14H2,1-2H3,(H,30,31);3-4,7,10-11,15-17,22,24H,5-6,8-9,12-14H2,1-2H3,(H,30,31);6-7,9-10,15-17,23H,3-5,8,11-14H2,1-2H3,(H,28,30)/t27-;2*24-;22?,24-;23-/m01000/s1
InChIKeyOXQGFFFQMCBJCO-HPKXDJFXSA-N
MW2522.88 g/mol
LogP23.14
Rot. Bonds39

About 2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 165046112) has the molecular formula C142H161BrF3N21O14 and a molecular weight of 2522.88 g/mol. Its IUPAC name is 2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID165046112
Molecular FormulaC142H161BrF3N21O14
Molecular Weight2522.88 g/mol
Exact Mass2520.17
IUPAC Name2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCC(=O)C[C@@H](c1cc(Br)cc(C(C)(C)C)c1)N1CCn2cc(CCc3ccc4c(n3)NCCC4)cc2C1=O.COc1ccc([C@@H](CC(C)=O)N2CCn3cc(CCc4ccc5c(n4)NCCC5)cc3C2=O)cc1F.COc1ccc([C@H](CC(C)=O)N2CCn3cc(CCC4CCc5cccnc5N4)cc3C2=O)cc1F.COc1ccc([C@H](CC(C)=O)N2CCn3cc(CCc4ccc5c(n4)NCCC5)cc3C2=O)cc1F.COc1ccc([C@H](CC(C)=O)N2CCn3cc(CCc4ccc5c(n4)NCCC5)cc3C2=O)cn1
InChIInChI=1S/C31H37BrN4O2.3C28H31FN4O3.C27H31N5O3/c1-20(37)14-27(23-16-24(31(2,3)4)18-25(32)17-23)36-13-12-35-19-21(15-28(35)30(36)38)7-9-26-10-8-22-6-5-11-33-29(22)34-26;3*1-18(34)14-24(21-7-10-26(36-2)23(29)16-21)33-13-12-32-17-19(15-25(32)28(33)35)5-8-22-9-6-20-4-3-11-30-27(20)31-22;1-18(33)14-23(21-7-10-25(35-2)29-16-21)32-13-12-31-17-19(15-24(31)27(32)34)5-8-22-9-6-20-4-3-11-28-26(20)30-22/h8,10,15-19,27H,5-7,9,11-14H2,1-4H3,(H,33,34);2*6-7,9-10,15-17,24H,3-5,8,11-14H2,1-2H3,(H,30,31);3-4,7,10-11,15-17,22,24H,5-6,8-9,12-14H2,1-2H3,(H,30,31);6-7,9-10,15-17,23H,3-5,8,11-14H2,1-2H3,(H,28,30)/t27-;2*24-;22?,24-;23-/m01000/s1
InChIKeyOXQGFFFQMCBJCO-HPKXDJFXSA-N
XLogP23.14
TPSA385.96 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds39
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002522.88
LogP ≤ 523.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 165046112) is 2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is CC(=O)C[C@@H](c1cc(Br)cc(C(C)(C)C)c1)N1CCn2cc(CCc3ccc4c(n3)NCCC4)cc2C1=O.COc1ccc([C@@H](CC(C)=O)N2CCn3cc(CCc4ccc5c(n4)NCCC5)cc3C2=O)cc1F.COc1ccc([C@H](CC(C)=O)N2CCn3cc(CCC4CCc5cccnc5N4)cc3C2=O)cc1F.COc1ccc([C@H](CC(C)=O)N2CCn3cc(CCc4ccc5c(n4)NCCC5)cc3C2=O)cc1F.COc1ccc([C@H](CC(C)=O)N2CCn3cc(CCc4ccc5c(n4)NCCC5)cc3C2=O)cn1.
What is the InChIKey of 2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is OXQGFFFQMCBJCO-HPKXDJFXSA-N. The full InChI is InChI=1S/C31H37BrN4O2.3C28H31FN4O3.C27H31N5O3/c1-20(37)14-27(23-16-24(31(2,3)4)18-25(32)17-23)36-13-12-35-19-21(15-28(35)30(36)38)7-9-26-10-8-22-6-5-11-33-29(22)34-26;3*1-18(34)14-24(21-7-10-26(36-2)23(29)16-21)33-13-12-32-17-19(15-25(32)28(33)35)5-8-22-9-6-20-4-3-11-30-27(20)31-22;1-18(33)14-23(21-7-10-25(35-2)29-16-21)32-13-12-31-17-19(15-24(31)27(32)34)5-8-22-9-6-20-4-3-11-28-26(20)30-22/h8,10,15-19,27H,5-7,9,11-14H2,1-4H3,(H,33,34);2*6-7,9-10,15-17,24H,3-5,8,11-14H2,1-2H3,(H,30,31);3-4,7,10-11,15-17,22,24H,5-6,8-9,12-14H2,1-2H3,(H,30,31);6-7,9-10,15-17,23H,3-5,8,11-14H2,1-2H3,(H,28,30)/t27-;2*24-;22?,24-;23-/m01000/s1.
What are the key properties of 2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 2522.88 g/mol, XLogP of 23.14, 39 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-bromo-5-tert-butylphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(1,2,3,4-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1R)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(3-fluoro-4-methoxyphenyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;2-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-7-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 165046112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).