5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C105H137N31O11 — CID 157089668

About 5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 157089668) has the molecular formula C105H137N31O11 and a molecular weight of 2009.46 g/mol. Its IUPAC name is 5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
• PubChem CID: 157089668
• Molecular Formula: C105H137N31O11
• Molecular Weight: 2009.46 g/mol
• Exact Mass: 2008.11
• IUPAC Name: 5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
• SMILES: CCC(O)(CC)c1ccc(C(=O)C[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C)c4)n3)[C@@H]2C)cc1.C[C@@H]1[C@H](CC(=O)c2cc3n(n2)CCC3(C)C)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](CC(=O)c2ccc(C(C)(C)O)cn2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.Cc1cc(C(=O)C[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C)c4)n3)[C@@H]2C)ccc1C(C)(C)O
• InChI: InChI=1S/C28H37N7O3.C27H35N7O3.C25H33N9O2.C25H32N8O3/c1-5-28(38,6-2)21-11-9-19(10-12-21)23(36)14-20-8-7-13-35(18(20)3)24-16-30-25(26(29)37)27(33-24)32-22-15-31-34(4)17-22;1-16-11-19(8-9-21(16)27(3,4)37)22(35)12-18-7-6-10-34(17(18)2)23-14-29-24(25(28)36)26(32-23)31-20-13-30-33(5)15-20;1-15-16(10-19(35)18-11-20-25(2,3)7-9-34(20)31-18)6-5-8-33(15)21-13-27-22(23(26)36)24(30-21)29-17-12-28-32(4)14-17;1-15-16(10-20(34)19-8-7-17(11-27-19)25(2,3)36)6-5-9-33(15)21-13-28-22(23(26)35)24(31-21)30-18-12-29-32(4)14-18/h9-12,15-18,20,38H,5-8,13-14H2,1-4H3,(H2,29,37)(H,32,33);8-9,11,13-15,17-18,37H,6-7,10,12H2,1-5H3,(H2,28,36)(H,31,32);11-16H,5-10H2,1-4H3,(H2,26,36)(H,29,30);7-8,11-16,36H,5-6,9-10H2,1-4H3,(H2,26,35)(H,30,31)/t18-,20+;17-,18+;2*15-,16+/m1111/s1
• InChIKey: AENBDPLBWZDGCY-XEGOKSBZSA-N
• XLogP: 12.77
• TPSA: 567.52 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 33
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2009.46
LogP ≤ 5	12.77
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The IUPAC name of 5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 157089668) is 5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The canonical SMILES for 5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is CCC(O)(CC)c1ccc(C(=O)C[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C)c4)n3)[C@@H]2C)cc1.C[C@@H]1[C@H](CC(=O)c2cc3n(n2)CCC3(C)C)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](CC(=O)c2ccc(C(C)(C)O)cn2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.Cc1cc(C(=O)C[C@@H]2CCCN(c3cnc(C(N)=O)c(Nc4cnn(C)c4)n3)[C@@H]2C)ccc1C(C)(C)O.

What is the InChIKey of 5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The InChIKey is AENBDPLBWZDGCY-XEGOKSBZSA-N. The full InChI is InChI=1S/C28H37N7O3.C27H35N7O3.C25H33N9O2.C25H32N8O3/c1-5-28(38,6-2)21-11-9-19(10-12-21)23(36)14-20-8-7-13-35(18(20)3)24-16-30-25(26(29)37)27(33-24)32-22-15-31-34(4)17-22;1-16-11-19(8-9-21(16)27(3,4)37)22(35)12-18-7-6-10-34(17(18)2)23-14-29-24(25(28)36)26(32-23)31-20-13-30-33(5)15-20;1-15-16(10-19(35)18-11-20-25(2,3)7-9-34(20)31-18)6-5-8-33(15)21-13-27-22(23(26)36)24(30-21)29-17-12-28-32(4)14-17;1-15-16(10-20(34)19-8-7-17(11-27-19)25(2,3)36)6-5-9-33(15)21-13-28-22(23(26)35)24(31-21)30-18-12-29-32(4)14-18/h9-12,15-18,20,38H,5-8,13-14H2,1-4H3,(H2,29,37)(H,32,33);8-9,11,13-15,17-18,37H,6-7,10,12H2,1-5H3,(H2,28,36)(H,31,32);11-16H,5-10H2,1-4H3,(H2,26,36)(H,29,30);7-8,11-16,36H,5-6,9-10H2,1-4H3,(H2,26,35)(H,30,31)/t18-,20+;17-,18+;2*15-,16+/m1111/s1.

What are the key properties of 5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 2009.46 g/mol, XLogP of 12.77, 33 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,3S)-3-[2-(4,4-dimethyl-5,6-dihydropyrrolo[2,1-e]pyrazol-2-yl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(3-hydroxypentan-3-yl)phenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;5-[(2R,3S)-3-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 157089668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).