5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C48H62N16O7 — CID 158599774

About 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 158599774) has the molecular formula C48H62N16O7 and a molecular weight of 975.13 g/mol. Its IUPAC name is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
• PubChem CID: 158599774
• Molecular Formula: C48H62N16O7
• Molecular Weight: 975.13 g/mol
• Exact Mass: 974.50
• IUPAC Name: 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
• SMILES: CC(O)c1ccc(C(=O)N[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C)c4)n3)[C@@H]2C)cc1.CC(O)c1ccc(C(=O)O)cc1.C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1
• InChI: InChI=1S/C24H30N8O3.C15H22N8O.C9H10O3/c1-14-19(29-24(35)17-8-6-16(7-9-17)15(2)33)5-4-10-32(14)20-12-26-21(22(25)34)23(30-20)28-18-11-27-31(3)13-18;1-9-11(16)4-3-5-23(9)12-7-18-13(14(17)24)15(21-12)20-10-6-19-22(2)8-10;1-6(10)7-2-4-8(5-3-7)9(11)12/h6-9,11-15,19,33H,4-5,10H2,1-3H3,(H2,25,34)(H,28,30)(H,29,35);6-9,11H,3-5,16H2,1-2H3,(H2,17,24)(H,20,21);2-6,10H,1H3,(H,11,12)/t14-,15?,19-;9-,11-;/m11./s1
• InChIKey: HVMKQTUDJAMLFQ-WPGZATGBSA-N
• XLogP: 3.70
• TPSA: 336.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	975.13
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 158599774) is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The canonical SMILES for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is CC(O)c1ccc(C(=O)N[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C)c4)n3)[C@@H]2C)cc1.CC(O)c1ccc(C(=O)O)cc1.C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.

What is the InChIKey of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The InChIKey is HVMKQTUDJAMLFQ-WPGZATGBSA-N. The full InChI is InChI=1S/C24H30N8O3.C15H22N8O.C9H10O3/c1-14-19(29-24(35)17-8-6-16(7-9-17)15(2)33)5-4-10-32(14)20-12-26-21(22(25)34)23(30-20)28-18-11-27-31(3)13-18;1-9-11(16)4-3-5-23(9)12-7-18-13(14(17)24)15(21-12)20-10-6-19-22(2)8-10;1-6(10)7-2-4-8(5-3-7)9(11)12/h6-9,11-15,19,33H,4-5,10H2,1-3H3,(H2,25,34)(H,28,30)(H,29,35);6-9,11H,3-5,16H2,1-2H3,(H2,17,24)(H,20,21);2-6,10H,1H3,(H,11,12)/t14-,15?,19-;9-,11-;/m11./s1.

What are the key properties of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 975.13 g/mol, XLogP of 3.70, 13 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;4-(1-hydroxyethyl)benzoic acid;5-[(2R,3R)-3-[[4-(1-hydroxyethyl)benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 158599774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).