1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine

C117H136Cl4N34O6 — CID 157198020

About 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine

1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine (PubChem CID 157198020) has the molecular formula C117H136Cl4N34O6 and a molecular weight of 2256.42 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine.

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine
• PubChem CID: 157198020
• Molecular Formula: C117H136Cl4N34O6
• Molecular Weight: 2256.42 g/mol
• Exact Mass: 2253.01
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine
• SMILES: C1CNC2CCCNC2C1.Cn1cc(N)cn1.Cn1cc(Nc2nc(N3CCCC4C3CCCN4C(=O)c3ccc(C4CC4)cc3)cnc2C#N)cn1.Cn1cc(Nc2nc(N3CCCC4C3CCCN4C(=O)c3ccc(C4CC4)cc3)cnc2C(N)=O)cn1.N#Cc1ncc(Cl)nc1Cl.N#Cc1ncc(N2CCCC3C2CCCN3C(=O)c2ccc(C3CC3)cc2)nc1Cl.N#Cc1ncc(N2CCCC3NCCCC32)nc1Cl.O=C(O)c1ccc(C2CC2)cc1
• InChI: InChI=1S/C27H32N8O2.C27H30N8O.C23H24ClN5O.C13H16ClN5.C10H10O2.C8H16N2.C5HCl2N3.C4H7N3/c1-33-16-20(14-30-33)31-26-24(25(28)36)29-15-23(32-26)34-12-2-5-22-21(34)4-3-13-35(22)27(37)19-10-8-18(9-11-19)17-6-7-17;1-33-17-21(15-30-33)31-26-22(14-28)29-16-25(32-26)34-12-2-5-24-23(34)4-3-13-35(24)27(36)20-10-8-19(9-11-20)18-6-7-18;24-22-18(13-25)26-14-21(27-22)28-11-1-4-20-19(28)3-2-12-29(20)23(30)17-9-7-16(8-10-17)15-5-6-15;14-13-10(7-15)17-8-12(18-13)19-6-2-3-9-11(19)4-1-5-16-9;11-10(12)9-5-3-8(4-6-9)7-1-2-7;1-3-7-8(9-5-1)4-2-6-10-7;6-4-2-9-3(1-8)5(7)10-4;1-7-3-4(5)2-6-7/h8-11,14-17,21-22H,2-7,12-13H2,1H3,(H2,28,36)(H,31,32);8-11,15-18,23-24H,2-7,12-13H2,1H3,(H,31,32);7-10,14-15,19-20H,1-6,11-12H2;8-9,11,16H,1-6H2;3-7H,1-2H2,(H,11,12);7-10H,1-6H2;2H;2-3H,5H2,1H3
• InChIKey: AQLYGOYDTWOYJD-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 517.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2256.42
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine?

The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine (CID 157198020) is 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine.

What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine?

The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine is C1CNC2CCCNC2C1.Cn1cc(N)cn1.Cn1cc(Nc2nc(N3CCCC4C3CCCN4C(=O)c3ccc(C4CC4)cc3)cnc2C#N)cn1.Cn1cc(Nc2nc(N3CCCC4C3CCCN4C(=O)c3ccc(C4CC4)cc3)cnc2C(N)=O)cn1.N#Cc1ncc(Cl)nc1Cl.N#Cc1ncc(N2CCCC3C2CCCN3C(=O)c2ccc(C3CC3)cc2)nc1Cl.N#Cc1ncc(N2CCCC3NCCCC32)nc1Cl.O=C(O)c1ccc(C2CC2)cc1.

What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine?

The InChIKey is AQLYGOYDTWOYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O2.C27H30N8O.C23H24ClN5O.C13H16ClN5.C10H10O2.C8H16N2.C5HCl2N3.C4H7N3/c1-33-16-20(14-30-33)31-26-24(25(28)36)29-15-23(32-26)34-12-2-5-22-21(34)4-3-13-35(22)27(37)19-10-8-18(9-11-19)17-6-7-17;1-33-17-21(15-30-33)31-26-22(14-28)29-16-25(32-26)34-12-2-5-24-23(34)4-3-13-35(24)27(36)20-10-8-19(9-11-20)18-6-7-18;24-22-18(13-25)26-14-21(27-22)28-11-1-4-20-19(28)3-2-12-29(20)23(30)17-9-7-16(8-10-17)15-5-6-15;14-13-10(7-15)17-8-12(18-13)19-6-2-3-9-11(19)4-1-5-16-9;11-10(12)9-5-3-8(4-6-9)7-1-2-7;1-3-7-8(9-5-1)4-2-6-10-7;6-4-2-9-3(1-8)5(7)10-4;1-7-3-4(5)2-6-7/h8-11,14-17,21-22H,2-7,12-13H2,1H3,(H2,28,36)(H,31,32);8-11,15-18,23-24H,2-7,12-13H2,1H3,(H,31,32);7-10,14-15,19-20H,1-6,11-12H2;8-9,11,16H,1-6H2;3-7H,1-2H2,(H,11,12);7-10H,1-6H2;2H;2-3H,5H2,1H3.

What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine?

1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine has a molecular weight of 2256.42 g/mol, XLogP of 17.47, 17 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine;5-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-3-chloropyrazine-2-carbonitrile;3-chloro-5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]pyrazine-2-carbonitrile;4-cyclopropylbenzoic acid;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[5-(4-cyclopropylbenzoyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine is sourced from PubChem (CID 157198020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).