6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide

C94H96N20O15 — CID 159761935

About 6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide

6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide (PubChem CID 159761935) has the molecular formula C94H96N20O15 and a molecular weight of 1745.93 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide
• PubChem CID: 159761935
• Molecular Formula: C94H96N20O15
• Molecular Weight: 1745.93 g/mol
• Exact Mass: 1744.74
• IUPAC Name: 6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide
• SMILES: CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CCCC45COC5)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CCc5ccccc54)n3)c2)C1=O.COCC1CCCN1c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CON(C)c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1
• InChI: InChI=1S/C26H23N5O3.C24H25N5O4.C24H27N5O4.C20H21N5O4/c1-30-14-12-26(34,25(30)33)11-9-17-5-4-7-19(15-17)24-28-20(23(27)32)16-22(29-24)31-13-10-18-6-2-3-8-21(18)31;1-28-11-9-24(32,22(28)31)8-6-16-4-2-5-17(12-16)21-26-18(20(25)30)13-19(27-21)29-10-3-7-23(29)14-33-15-23;1-28-12-10-24(32,23(28)31)9-8-16-5-3-6-17(13-16)22-26-19(21(25)30)14-20(27-22)29-11-4-7-18(29)15-33-2;1-24-10-9-20(28,19(24)27)8-7-13-5-4-6-14(11-13)18-22-15(17(21)26)12-16(23-18)25(2)29-3/h2-8,15-16,34H,10,12-14H2,1H3,(H2,27,32);2,4-5,12-13,32H,3,7,9-11,14-15H2,1H3,(H2,25,30);3,5-6,13-14,18,32H,4,7,10-12,15H2,1-2H3,(H2,25,30);4-6,11-12,28H,9-10H2,1-3H3,(H2,21,26)/t26-;24-;18?,24-;20-/m0000/s1
• InChIKey: NEZRFVUVHWLVNR-YBPPRYLFSA-N
• XLogP: 3.42
• TPSA: 478.29 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1745.93
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide?

The IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide (CID 159761935) is 6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide.

What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide?

The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide is CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CCCC45COC5)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)cc(N4CCc5ccccc54)n3)c2)C1=O.COCC1CCCN1c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.CON(C)c1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1.

What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide?

The InChIKey is NEZRFVUVHWLVNR-YBPPRYLFSA-N. The full InChI is InChI=1S/C26H23N5O3.C24H25N5O4.C24H27N5O4.C20H21N5O4/c1-30-14-12-26(34,25(30)33)11-9-17-5-4-7-19(15-17)24-28-20(23(27)32)16-22(29-24)31-13-10-18-6-2-3-8-21(18)31;1-28-11-9-24(32,22(28)31)8-6-16-4-2-5-17(12-16)21-26-18(20(25)30)13-19(27-21)29-10-3-7-23(29)14-33-15-23;1-28-12-10-24(32,23(28)31)9-8-16-5-3-6-17(13-16)22-26-19(21(25)30)14-20(27-22)29-11-4-7-18(29)15-33-2;1-24-10-9-20(28,19(24)27)8-7-13-5-4-6-14(11-13)18-22-15(17(21)26)12-16(23-18)25(2)29-3/h2-8,15-16,34H,10,12-14H2,1H3,(H2,27,32);2,4-5,12-13,32H,3,7,9-11,14-15H2,1H3,(H2,25,30);3,5-6,13-14,18,32H,4,7,10-12,15H2,1-2H3,(H2,25,30);4-6,11-12,28H,9-10H2,1-3H3,(H2,21,26)/t26-;24-;18?,24-;20-/m0000/s1.

What are the key properties of 6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide?

6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide has a molecular weight of 1745.93 g/mol, XLogP of 3.42, 15 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dihydroindol-1-yl)-2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[methoxy(methyl)amino]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(2-oxa-5-azaspiro[3.4]octan-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 159761935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).