[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide

C114H115Cl5F8N34O6S — CID 159313346

About [5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide

[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 159313346) has the molecular formula C114H115Cl5F8N34O6S and a molecular weight of 2418.72 g/mol. Its IUPAC name is [5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: [5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide
• PubChem CID: 159313346
• Molecular Formula: C114H115Cl5F8N34O6S
• Molecular Weight: 2418.72 g/mol
• Exact Mass: 2414.78
• IUPAC Name: [5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide
• SMILES: Cc1c(C(=O)n2nnnc2CN2CCCCC2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCC2.Fc1ccc(F)c(CN2CCCc3ncc(-n4cnnc4CN4CCNCC4)nc32)c1Cl.O=C(c1cnc2c(n1)N(Cc1c(F)ccc(F)c1Cl)CCC2)n1cc(C2CCNC2)cn1.O=C(c1cnc2c(n1)N(Cc1c(F)ccc(F)c1Cl)CCC2)n1ccc(CN2CCCCC2)n1.O=C(c1cnc2c(n1)N(Cc1cccnc1Cl)CCC2)n1ccc(NS(=O)(=O)c2ccccc2)n1
• InChI: InChI=1S/C24H26ClF2N7O.C24H25ClF2N6O.C23H20ClN7O3S.C22H21ClF2N6O.C21H23ClF2N8/c1-15-16(24(35)34-21(29-30-31-34)14-32-9-3-2-4-10-32)12-28-20-6-5-11-33(23(15)20)13-17-18(26)7-8-19(27)22(17)25;25-22-17(18(26)6-7-19(22)27)15-32-11-4-5-20-23(32)29-21(13-28-20)24(34)33-12-8-16(30-33)14-31-9-2-1-3-10-31;24-21-16(6-4-11-25-21)15-30-12-5-9-18-22(30)27-19(14-26-18)23(32)31-13-10-20(28-31)29-35(33,34)17-7-2-1-3-8-17;23-20-15(16(24)3-4-17(20)25)12-30-7-1-2-18-21(30)29-19(10-27-18)22(32)31-11-14(9-28-31)13-5-6-26-8-13;22-20-14(15(23)3-4-16(20)24)11-31-7-1-2-17-21(31)28-18(10-26-17)32-13-27-29-19(32)12-30-8-5-25-6-9-30/h7-8,12H,2-6,9-11,13-14H2,1H3;6-8,12-13H,1-5,9-11,14-15H2;1-4,6-8,10-11,13-14H,5,9,12,15H2,(H,28,29);3-4,9-11,13,26H,1-2,5-8,12H2;3-4,10,13,25H,1-2,5-9,11-12H2
• InChIKey: LCVCOQOSKOUVSP-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 421.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2418.72
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'amidotetrazole', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide?

The IUPAC name of [5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide (CID 159313346) is [5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide.

What is the SMILES notation for [5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide?

The canonical SMILES for [5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide is Cc1c(C(=O)n2nnnc2CN2CCCCC2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCC2.Fc1ccc(F)c(CN2CCCc3ncc(-n4cnnc4CN4CCNCC4)nc32)c1Cl.O=C(c1cnc2c(n1)N(Cc1c(F)ccc(F)c1Cl)CCC2)n1cc(C2CCNC2)cn1.O=C(c1cnc2c(n1)N(Cc1c(F)ccc(F)c1Cl)CCC2)n1ccc(CN2CCCCC2)n1.O=C(c1cnc2c(n1)N(Cc1cccnc1Cl)CCC2)n1ccc(NS(=O)(=O)c2ccccc2)n1.

What is the InChIKey of [5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide?

The InChIKey is LCVCOQOSKOUVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF2N7O.C24H25ClF2N6O.C23H20ClN7O3S.C22H21ClF2N6O.C21H23ClF2N8/c1-15-16(24(35)34-21(29-30-31-34)14-32-9-3-2-4-10-32)12-28-20-6-5-11-33(23(15)20)13-17-18(26)7-8-19(27)22(17)25;25-22-17(18(26)6-7-19(22)27)15-32-11-4-5-20-23(32)29-21(13-28-20)24(34)33-12-8-16(30-33)14-31-9-2-1-3-10-31;24-21-16(6-4-11-25-21)15-30-12-5-9-18-22(30)27-19(14-26-18)23(32)31-13-10-20(28-31)29-35(33,34)17-7-2-1-3-8-17;23-20-15(16(24)3-4-17(20)25)12-30-7-1-2-18-21(30)29-19(10-27-18)22(32)31-11-14(9-28-31)13-5-6-26-8-13;22-20-14(15(23)3-4-16(20)24)11-31-7-1-2-17-21(31)28-18(10-26-17)32-13-27-29-19(32)12-30-8-5-25-6-9-30/h7-8,12H,2-6,9-11,13-14H2,1H3;6-8,12-13H,1-5,9-11,14-15H2;1-4,6-8,10-11,13-14H,5,9,12,15H2,(H,28,29);3-4,9-11,13,26H,1-2,5-8,12H2;3-4,10,13,25H,1-2,5-9,11-12H2.

What are the key properties of [5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide?

[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 2418.72 g/mol, XLogP of 17.00, 25 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-[3-(piperidin-1-ylmethyl)pyrazol-1-yl]methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]-(4-pyrrolidin-3-ylpyrazol-1-yl)methanone;[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-[5-(piperidin-1-ylmethyl)tetrazol-1-yl]methanone;5-[(2-chloro-3,6-difluorophenyl)methyl]-3-[3-(piperazin-1-ylmethyl)-1,2,4-triazol-4-yl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;N-[1-[5-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazine-3-carbonyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 159313346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).