5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine

C124H167Cl3N40O13 — CID 162110432

About 5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine

5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine (PubChem CID 162110432) has the molecular formula C124H167Cl3N40O13 and a molecular weight of 2532.33 g/mol. Its IUPAC name is 5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine
• PubChem CID: 162110432
• Molecular Formula: C124H167Cl3N40O13
• Molecular Weight: 2532.33 g/mol
• Exact Mass: 2529.27
• IUPAC Name: 5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine
• SMILES: CC1CC(CC(=O)OC(C)(C)C)CN(c2cnc(C#N)c(Nc3cnn(C)c3)n2)C1.CC1CC(N)CN(c2cnc(C(N)=O)c(Nc3cnn(C)c3)n2)C1.CC1CC(NC(=O)OC(C)(C)C)CN(c2cnc(C#N)c(Cl)n2)C1.CC1CC(NC(=O)c2ccc(C3CC3)cc2)CN(c2cnc(C(N)=O)c(Nc3cnn(C)c3)n2)C1.CC1CNCC(NC(=O)OC(C)(C)C)C1.Cc1cncc(N)c1.Cc1cncc(NC(=O)OC(C)(C)C)c1.Cn1cc(N)cn1.N#Cc1ncc(Cl)nc1Cl.O=C(O)c1ccc(C2CC2)cc1
• InChI: InChI=1S/C25H30N8O2.C21H29N7O2.C16H22ClN5O2.C15H22N8O.C11H22N2O2.C11H16N2O2.C10H10O2.C6H8N2.C5HCl2N3.C4H7N3/c1-15-9-19(30-25(35)18-7-5-17(6-8-18)16-3-4-16)14-33(12-15)21-11-27-22(23(26)34)24(31-21)29-20-10-28-32(2)13-20;1-14-6-15(7-19(29)30-21(2,3)4)12-28(11-14)18-10-23-17(8-22)20(26-18)25-16-9-24-27(5)13-16;1-10-5-11(20-15(23)24-16(2,3)4)9-22(8-10)13-7-19-12(6-18)14(17)21-13;1-9-3-10(16)7-23(6-9)12-5-18-13(14(17)24)15(21-12)20-11-4-19-22(2)8-11;2*1-8-5-9(7-12-6-8)13-10(14)15-11(2,3)4;11-10(12)9-5-3-8(4-6-9)7-1-2-7;1-5-2-6(7)4-8-3-5;6-4-2-9-3(1-8)5(7)10-4;1-7-3-4(5)2-6-7/h5-8,10-11,13,15-16,19H,3-4,9,12,14H2,1-2H3,(H2,26,34)(H,29,31)(H,30,35);9-10,13-15H,6-7,11-12H2,1-5H3,(H,25,26);7,10-11H,5,8-9H2,1-4H3,(H,20,23);4-5,8-10H,3,6-7,16H2,1-2H3,(H2,17,24)(H,20,21);8-9,12H,5-7H2,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);3-7H,1-2H2,(H,11,12);2-4H,7H2,1H3;2H;2-3H,5H2,1H3
• InChIKey: ZGBRDHTVJZRIFK-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 730.34 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 46
• Rotatable Bonds: 22
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2532.33
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine?

The IUPAC name of 5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine (CID 162110432) is 5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine.

What is the SMILES notation for 5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine?

The canonical SMILES for 5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine is CC1CC(CC(=O)OC(C)(C)C)CN(c2cnc(C#N)c(Nc3cnn(C)c3)n2)C1.CC1CC(N)CN(c2cnc(C(N)=O)c(Nc3cnn(C)c3)n2)C1.CC1CC(NC(=O)OC(C)(C)C)CN(c2cnc(C#N)c(Cl)n2)C1.CC1CC(NC(=O)c2ccc(C3CC3)cc2)CN(c2cnc(C(N)=O)c(Nc3cnn(C)c3)n2)C1.CC1CNCC(NC(=O)OC(C)(C)C)C1.Cc1cncc(N)c1.Cc1cncc(NC(=O)OC(C)(C)C)c1.Cn1cc(N)cn1.N#Cc1ncc(Cl)nc1Cl.O=C(O)c1ccc(C2CC2)cc1.

What is the InChIKey of 5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine?

The InChIKey is ZGBRDHTVJZRIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2.C21H29N7O2.C16H22ClN5O2.C15H22N8O.C11H22N2O2.C11H16N2O2.C10H10O2.C6H8N2.C5HCl2N3.C4H7N3/c1-15-9-19(30-25(35)18-7-5-17(6-8-18)16-3-4-16)14-33(12-15)21-11-27-22(23(26)34)24(31-21)29-20-10-28-32(2)13-20;1-14-6-15(7-19(29)30-21(2,3)4)12-28(11-14)18-10-23-17(8-22)20(26-18)25-16-9-24-27(5)13-16;1-10-5-11(20-15(23)24-16(2,3)4)9-22(8-10)13-7-19-12(6-18)14(17)21-13;1-9-3-10(16)7-23(6-9)12-5-18-13(14(17)24)15(21-12)20-11-4-19-22(2)8-11;2*1-8-5-9(7-12-6-8)13-10(14)15-11(2,3)4;11-10(12)9-5-3-8(4-6-9)7-1-2-7;1-5-2-6(7)4-8-3-5;6-4-2-9-3(1-8)5(7)10-4;1-7-3-4(5)2-6-7/h5-8,10-11,13,15-16,19H,3-4,9,12,14H2,1-2H3,(H2,26,34)(H,29,31)(H,30,35);9-10,13-15H,6-7,11-12H2,1-5H3,(H,25,26);7,10-11H,5,8-9H2,1-4H3,(H,20,23);4-5,8-10H,3,6-7,16H2,1-2H3,(H2,17,24)(H,20,21);8-9,12H,5-7H2,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);3-7H,1-2H2,(H,11,12);2-4H,7H2,1H3;2H;2-3H,5H2,1H3.

What are the key properties of 5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine?

5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine has a molecular weight of 2532.33 g/mol, XLogP of 17.70, 22 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-amino-5-methylpiperidin-1-yl)-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;tert-butyl N-[1-(6-chloro-5-cyanopyrazin-2-yl)-5-methylpiperidin-3-yl]carbamate;tert-butyl 2-[1-[5-cyano-6-[(1-methylpyrazol-4-yl)amino]pyrazin-2-yl]-5-methylpiperidin-3-yl]acetate;tert-butyl N-(5-methylpiperidin-3-yl)carbamate;tert-butyl N-(5-methyl-3-pyridinyl)carbamate;4-cyclopropylbenzoic acid;5-[3-[(4-cyclopropylbenzoyl)amino]-5-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;1-methylpyrazol-4-amine;5-methylpyridin-3-amine is sourced from PubChem (CID 162110432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).