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

C62H77BrN16O8 — CID 159844049

About 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]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;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 159844049) has the molecular formula C62H77BrN16O8 and a molecular weight of 1254.31 g/mol. Its IUPAC name is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]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;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
• PubChem CID: 159844049
• Molecular Formula: C62H77BrN16O8
• Molecular Weight: 1254.31 g/mol
• Exact Mass: 1252.53
• IUPAC Name: 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
• SMILES: C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3(CO)CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.O=C(O)c1ccc(C2(CO)CC2)cc1.OCC1(c2ccc(Br)cc2)CC1
• InChI: InChI=1S/C26H32N8O3.C15H22N8O.C11H12O3.C10H11BrO/c1-16-20(31-25(37)17-5-7-18(8-6-17)26(15-35)9-10-26)4-3-11-34(16)21-13-28-22(23(27)36)24(32-21)30-19-12-29-33(2)14-19;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;12-7-11(5-6-11)9-3-1-8(2-4-9)10(13)14;11-9-3-1-8(2-4-9)10(7-12)5-6-10/h5-8,12-14,16,20,35H,3-4,9-11,15H2,1-2H3,(H2,27,36)(H,30,32)(H,31,37);6-9,11H,3-5,16H2,1-2H3,(H2,17,24)(H,20,21);1-4,12H,5-7H2,(H,13,14);1-4,12H,5-7H2/t16-,20-;9-,11-;;/m11../s1
• InChIKey: NPBISBMGXHVAPK-VZWJZPPKSA-N
• XLogP: 6.11
• TPSA: 357.03 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1254.31
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

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;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]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;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 159844049) is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]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;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]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;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is C[C@@H]1[C@H](N)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3(CO)CC3)cc2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.O=C(O)c1ccc(C2(CO)CC2)cc1.OCC1(c2ccc(Br)cc2)CC1.

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

The InChIKey is NPBISBMGXHVAPK-VZWJZPPKSA-N. The full InChI is InChI=1S/C26H32N8O3.C15H22N8O.C11H12O3.C10H11BrO/c1-16-20(31-25(37)17-5-7-18(8-6-17)26(15-35)9-10-26)4-3-11-34(16)21-13-28-22(23(27)36)24(32-21)30-19-12-29-33(2)14-19;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;12-7-11(5-6-11)9-3-1-8(2-4-9)10(13)14;11-9-3-1-8(2-4-9)10(7-12)5-6-10/h5-8,12-14,16,20,35H,3-4,9-11,15H2,1-2H3,(H2,27,36)(H,30,32)(H,31,37);6-9,11H,3-5,16H2,1-2H3,(H2,17,24)(H,20,21);1-4,12H,5-7H2,(H,13,14);1-4,12H,5-7H2/t16-,20-;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;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]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;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 1254.31 g/mol, XLogP of 6.11, 17 rotatable bonds, 10 hydrogen bond donors, and 20 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;[1-(4-bromophenyl)cyclopropyl]methanol;4-[1-(hydroxymethyl)cyclopropyl]benzoic acid;5-[(2R,3R)-3-[[4-[1-(hydroxymethyl)cyclopropyl]benzoyl]amino]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 159844049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).