3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one

C94H93F6N29O4S2 — CID 157452934

About 3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one

3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 157452934) has the molecular formula C94H93F6N29O4S2 and a molecular weight of 1871.10 g/mol. Its IUPAC name is 3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
• PubChem CID: 157452934
• Molecular Formula: C94H93F6N29O4S2
• Molecular Weight: 1871.10 g/mol
• Exact Mass: 1869.73
• IUPAC Name: 3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
• SMILES: C1=CC2C=CC(c3cccc(-c4cnc5cnccn45)n3)=CC2N1.CC1C(CNS(C)(=O)=O)C(F)(F)C(C)CN1c1cc(-c2cnn3ccc(C(F)F)nc23)ncn1.CC1CC(N=S(C)(C)=O)CN(c2cc(-c3cnn4ccc(C(F)F)nc34)ncn2)C1.O=C1CCCC2CN(c3cc(-c4cnn5cccnc45)ccn3)CCN12.c1ccc(-c2cc(-c3cnn4cccnc34)ccn2)cc1
• InChI: InChI=1S/C20H23F4N7O2S.C19H23F2N7OS.C19H20N6O.C19H15N5.C17H12N4/c1-11-9-30(12(2)14(20(11,23)24)8-28-34(3,32)33)17-6-16(25-10-26-17)13-7-27-31-5-4-15(18(21)22)29-19(13)31;1-12-6-13(26-30(2,3)29)10-27(9-12)17-7-16(22-11-23-17)14-8-24-28-5-4-15(18(20)21)25-19(14)28;26-18-4-1-3-15-13-23(9-10-24(15)18)17-11-14(5-7-20-17)16-12-22-25-8-2-6-21-19(16)25;1-2-15(14-5-4-13-6-7-21-17(13)10-14)23-16(3-1)18-11-22-19-12-20-8-9-24(18)19;1-2-5-13(6-3-1)16-11-14(7-9-18-16)15-12-20-21-10-4-8-19-17(15)21/h4-7,10-12,14,18,28H,8-9H2,1-3H3;4-5,7-8,11-13,18H,6,9-10H2,1-3H3;2,5-8,11-12,15H,1,3-4,9-10,13H2;1-13,17,21H;1-12H
• InChIKey: BSZVVCYXRWTMDE-UHFFFAOYSA-N
• XLogP: 14.13
• TPSA: 358.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1871.10
LogP ≤ 5	14.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?

The IUPAC name of 3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one (CID 157452934) is 3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one.

What is the SMILES notation for 3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?

The canonical SMILES for 3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one is C1=CC2C=CC(c3cccc(-c4cnc5cnccn45)n3)=CC2N1.CC1C(CNS(C)(=O)=O)C(F)(F)C(C)CN1c1cc(-c2cnn3ccc(C(F)F)nc23)ncn1.CC1CC(N=S(C)(C)=O)CN(c2cc(-c3cnn4ccc(C(F)F)nc34)ncn2)C1.O=C1CCCC2CN(c3cc(-c4cnn5cccnc45)ccn3)CCN12.c1ccc(-c2cc(-c3cnn4cccnc34)ccn2)cc1.

What is the InChIKey of 3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?

The InChIKey is BSZVVCYXRWTMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F4N7O2S.C19H23F2N7OS.C19H20N6O.C19H15N5.C17H12N4/c1-11-9-30(12(2)14(20(11,23)24)8-28-34(3,32)33)17-6-16(25-10-26-17)13-7-27-31-5-4-15(18(21)22)29-19(13)31;1-12-6-13(26-30(2,3)29)10-27(9-12)17-7-16(22-11-23-17)14-8-24-28-5-4-15(18(20)21)25-19(14)28;26-18-4-1-3-15-13-23(9-10-24(15)18)17-11-14(5-7-20-17)16-12-22-25-8-2-6-21-19(16)25;1-2-15(14-5-4-13-6-7-21-17(13)10-14)23-16(3-1)18-11-22-19-12-20-8-9-24(18)19;1-2-5-13(6-3-1)16-11-14(7-9-18-16)15-12-20-21-10-4-8-19-17(15)21/h4-7,10-12,14,18,28H,8-9H2,1-3H3;4-5,7-8,11-13,18H,6,9-10H2,1-3H3;2,5-8,11-12,15H,1,3-4,9-10,13H2;1-13,17,21H;1-12H.

What are the key properties of 3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one?

3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one has a molecular weight of 1871.10 g/mol, XLogP of 14.13, 16 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 157452934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).