6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide

C104H107F6N21O13 — CID 157167885

IUPAC6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide
SMILESCC(C)N1CCn2c(CN)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNC(=O)CC(Cc3nc(-c4n[nH]c5ccc(F)cc45)ncc3F)C3CC3)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CNC(=O)CC(Cc3nc(-c4n[nH]c5ccc(F)cc45)ncc3F)C3CC3)cc(=O)c(OCc3ccccc3)c2C1=O.O=C(O)CC(Cc1nc(-c2n[nH]c3ccc(F)cc23)ncc1F)C1CC1
InChIInChI=1S/C37H37F2N7O4.C30H31F2N7O4.C19H23N3O3.C18H16F2N4O2/c1-21(2)45-12-13-46-26(17-31(47)35(34(46)37(45)49)50-20-22-6-4-3-5-7-22)18-40-32(48)15-24(23-8-9-23)14-30-28(39)19-41-36(42-30)33-27-16-25(38)10-11-29(27)43-44-33;1-15(2)38-7-8-39-19(12-24(40)28(42)27(39)30(38)43)13-33-25(41)10-17(16-3-4-16)9-23-21(32)14-34-29(35-23)26-20-11-18(31)5-6-22(20)36-37-26;1-13(2)21-8-9-22-15(11-20)10-16(23)18(17(22)19(21)24)25-12-14-6-4-3-5-7-14;19-11-3-4-14-12(7-11)17(24-23-14)18-21-8-13(20)15(22-18)5-10(6-16(25)26)9-1-2-9/h3-7,10-11,16-17,19,21,23-24H,8-9,12-15,18,20H2,1-2H3,(H,40,48)(H,43,44);5-6,11-12,14-17,42H,3-4,7-10,13H2,1-2H3,(H,33,41)(H,36,37);3-7,10,13H,8-9,11-12,20H2,1-2H3;3-4,7-10H,1-2,5-6H2,(H,23,24)(H,25,26)
InChIKeyANDALBJZYUEROQ-UHFFFAOYSA-N
MW1973.12 g/mol
LogP13.57
Rot. Bonds32

About 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide

6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide (PubChem CID 157167885) has the molecular formula C104H107F6N21O13 and a molecular weight of 1973.12 g/mol. Its IUPAC name is 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide.

Molecular Properties

Compound Name6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide
PubChem CID157167885
Molecular FormulaC104H107F6N21O13
Molecular Weight1973.12 g/mol
Exact Mass1971.83
IUPAC Name6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide
SMILESCC(C)N1CCn2c(CN)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNC(=O)CC(Cc3nc(-c4n[nH]c5ccc(F)cc45)ncc3F)C3CC3)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CNC(=O)CC(Cc3nc(-c4n[nH]c5ccc(F)cc45)ncc3F)C3CC3)cc(=O)c(OCc3ccccc3)c2C1=O.O=C(O)CC(Cc1nc(-c2n[nH]c3ccc(F)cc23)ncc1F)C1CC1
InChIInChI=1S/C37H37F2N7O4.C30H31F2N7O4.C19H23N3O3.C18H16F2N4O2/c1-21(2)45-12-13-46-26(17-31(47)35(34(46)37(45)49)50-20-22-6-4-3-5-7-22)18-40-32(48)15-24(23-8-9-23)14-30-28(39)19-41-36(42-30)33-27-16-25(38)10-11-29(27)43-44-33;1-15(2)38-7-8-39-19(12-24(40)28(42)27(39)30(38)43)13-33-25(41)10-17(16-3-4-16)9-23-21(32)14-34-29(35-23)26-20-11-18(31)5-6-22(20)36-37-26;1-13(2)21-8-9-22-15(11-20)10-16(23)18(17(22)19(21)24)25-12-14-6-4-3-5-7-14;19-11-3-4-14-12(7-11)17(24-23-14)18-21-8-13(20)15(22-18)5-10(6-16(25)26)9-1-2-9/h3-7,10-11,16-17,19,21,23-24H,8-9,12-15,18,20H2,1-2H3,(H,40,48)(H,43,44);5-6,11-12,14-17,42H,3-4,7-10,13H2,1-2H3,(H,33,41)(H,36,37);3-7,10,13H,8-9,11-12,20H2,1-2H3;3-4,7-10H,1-2,5-6H2,(H,23,24)(H,25,26)
InChIKeyANDALBJZYUEROQ-UHFFFAOYSA-N
XLogP13.57
TPSA450.52 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001973.12
LogP ≤ 513.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide with MolForge

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Related Compounds

N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-6-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]amino]hexanamide
CID 132171578
3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]amino]propanamide
CID 132171596
cis-(1S,3R)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]amino]cyclohexane-1-carboxamide
CID 132171597
(2S)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-2-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 132171608
[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]cyclopropyl]methyl 2-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]amino]butanoate
CID 144993761
3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide
CID 157167888
cis-(1S,3R)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 157682354
(2S)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-2-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]methyl]-3-methylbutanamide
CID 157726646
N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanamide
CID 158480347
6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;5-cyclopropyl-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
CID 157548881
6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;cis-(1S,3R)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]methyl]cyclohexane-1-carboxamide;cis-(1S,3R)-3-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]methyl]cyclohexane-1-carboxylic acid;cis-(1S,3R)-3-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]methyl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]cyclohexane-1-carboxamide
CID 157682351
6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;(2S)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-2-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]methyl]-3-methylbutanamide;(2S)-2-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]methyl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3-methylbutanamide;(2S)-2-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]methyl]-3-methylbutanoic acid;methane
CID 157726643

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide?
The IUPAC name of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide (CID 157167885) is 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide.
What is the SMILES notation for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide?
The canonical SMILES for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide is CC(C)N1CCn2c(CN)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(CNC(=O)CC(Cc3nc(-c4n[nH]c5ccc(F)cc45)ncc3F)C3CC3)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(CNC(=O)CC(Cc3nc(-c4n[nH]c5ccc(F)cc45)ncc3F)C3CC3)cc(=O)c(OCc3ccccc3)c2C1=O.O=C(O)CC(Cc1nc(-c2n[nH]c3ccc(F)cc23)ncc1F)C1CC1.
What is the InChIKey of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide?
The InChIKey is ANDALBJZYUEROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37F2N7O4.C30H31F2N7O4.C19H23N3O3.C18H16F2N4O2/c1-21(2)45-12-13-46-26(17-31(47)35(34(46)37(45)49)50-20-22-6-4-3-5-7-22)18-40-32(48)15-24(23-8-9-23)14-30-28(39)19-41-36(42-30)33-27-16-25(38)10-11-29(27)43-44-33;1-15(2)38-7-8-39-19(12-24(40)28(42)27(39)30(38)43)13-33-25(41)10-17(16-3-4-16)9-23-21(32)14-34-29(35-23)26-20-11-18(31)5-6-22(20)36-37-26;1-13(2)21-8-9-22-15(11-20)10-16(23)18(17(22)19(21)24)25-12-14-6-4-3-5-7-14;19-11-3-4-14-12(7-11)17(24-23-14)18-21-8-13(20)15(22-18)5-10(6-16(25)26)9-1-2-9/h3-7,10-11,16-17,19,21,23-24H,8-9,12-15,18,20H2,1-2H3,(H,40,48)(H,43,44);5-6,11-12,14-17,42H,3-4,7-10,13H2,1-2H3,(H,33,41)(H,36,37);3-7,10,13H,8-9,11-12,20H2,1-2H3;3-4,7-10H,1-2,5-6H2,(H,23,24)(H,25,26).
What are the key properties of 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide?
6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide has a molecular weight of 1973.12 g/mol, XLogP of 13.57, 32 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-cyclopropyl-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanamide;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]butanoic acid;3-cyclopropyl-4-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide is sourced from PubChem (CID 157167885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).