2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide

C124H131N25O16S2 — CID 161360472

About 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide

2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 161360472) has the molecular formula C124H131N25O16S2 and a molecular weight of 2291.70 g/mol. Its IUPAC name is 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide
• PubChem CID: 161360472
• Molecular Formula: C124H131N25O16S2
• Molecular Weight: 2291.70 g/mol
• Exact Mass: 2289.96
• IUPAC Name: 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide
• SMILES: CC(C)C[C@@H]1CCCN1c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CC(C)C[C@H]1CCCN1c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CC[C@@H](O)C4)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CC[C@@H]4c4cccs4)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CC[C@H]4c4cccs4)n3)c2)C1=O
• InChI: InChI=1S/2C26H31N5O3.2C25H23N5O3S.C22H23N5O4/c2*1-17(2)14-20-8-5-12-31(20)22-16-21(23(27)32)28-24(29-22)19-7-4-6-18(15-19)9-10-26(34)11-13-30(3)25(26)33;2*1-29-12-10-25(33,24(29)32)9-7-16-4-2-5-17(14-16)23-27-18(22(26)31)15-21(28-23)30-11-8-19(30)20-6-3-13-34-20;1-26-10-8-22(31,21(26)30)7-5-14-3-2-4-15(11-14)20-24-17(19(23)29)12-18(25-20)27-9-6-16(28)13-27/h2*4,6-7,15-17,20,34H,5,8,11-14H2,1-3H3,(H2,27,32);2*2-6,13-15,19,33H,8,10-12H2,1H3,(H2,26,31);2-4,11-12,16,28,31H,6,8-10,13H2,1H3,(H2,23,29)/t20-,26+;20-,26-;19-,25+;19-,25-;16-,22+/m10101/s1
• InChIKey: VPCIUSFUVIAQLO-KHTLHZQJSA-N
• XLogP: 8.56
• TPSA: 583.48 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2291.70
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide?

The IUPAC name of 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide (CID 161360472) is 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide.

What is the SMILES notation for 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide?

The canonical SMILES for 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide is CC(C)C[C@@H]1CCCN1c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CC(C)C[C@H]1CCCN1c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CC[C@@H](O)C4)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CC[C@@H]4c4cccs4)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CC[C@H]4c4cccs4)n3)c2)C1=O.

What is the InChIKey of 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide?

The InChIKey is VPCIUSFUVIAQLO-KHTLHZQJSA-N. The full InChI is InChI=1S/2C26H31N5O3.2C25H23N5O3S.C22H23N5O4/c2*1-17(2)14-20-8-5-12-31(20)22-16-21(23(27)32)28-24(29-22)19-7-4-6-18(15-19)9-10-26(34)11-13-30(3)25(26)33;2*1-29-12-10-25(33,24(29)32)9-7-16-4-2-5-17(14-16)23-27-18(22(26)31)15-21(28-23)30-11-8-19(30)20-6-3-13-34-20;1-26-10-8-22(31,21(26)30)7-5-14-3-2-4-15(11-14)20-24-17(19(23)29)12-18(25-20)27-9-6-16(28)13-27/h2*4,6-7,15-17,20,34H,5,8,11-14H2,1-3H3,(H2,27,32);2*2-6,13-15,19,33H,8,10-12H2,1H3,(H2,26,31);2-4,11-12,16,28,31H,6,8-10,13H2,1H3,(H2,23,29)/t20-,26+;20-,26-;19-,25+;19-,25-;16-,22+/m10101/s1.

What are the key properties of 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide?

2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 2291.70 g/mol, XLogP of 8.56, 21 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2R)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[(2S)-2-thiophen-2-ylazetidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 161360472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).