1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide

C₉₈H₉₈N₂₄O₁₅ — CID 157075565

About 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide

1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 157075565) has the molecular formula C₉₈H₉₈N₂₄O₁₅ and a molecular weight of 1852.01 g/mol. Its IUPAC name is 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide
• PubChem CID: 157075565
• Molecular Formula: C₉₈H₉₈N₂₄O₁₅
• Molecular Weight: 1852.01 g/mol
• Exact Mass: 1850.76
• IUPAC Name: 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide
• SMILES: CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCCC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3ccc(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3C3CC(C4)C3)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CC3CC4C3)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CCC4)c2)C1=O
• InChI: InChI=1S/2C21H21N5O3.C21H22N4O3.C19H19N5O3.C16H15N5O3/c1-25-7-5-21(29,20(25)28)4-2-12-3-6-23-16(11-12)26-18-14-8-13(9-14)10-15(18)17(24-26)19(22)27;1-25-7-5-21(29,20(25)28)4-2-12-3-6-23-16(11-12)26-15-10-13-8-14(9-13)17(15)18(24-26)19(22)27;1-24-12-11-21(28,20(24)27)10-9-14-5-4-6-15(13-14)25-17-8-3-2-7-16(17)18(23-25)19(22)26;1-23-10-8-19(27,18(23)26)7-5-12-6-9-21-15(11-12)24-14-4-2-3-13(14)16(22-24)17(20)25;1-20-9-6-16(24,15(20)23)5-2-11-3-7-18-13(10-11)21-8-4-12(19-21)14(17)22/h2*3,6,11,13-14,29H,5,7-10H2,1H3,(H2,22,27);4-6,13,28H,2-3,7-8,11-12H2,1H3,(H2,22,26);6,9,11,27H,2-4,8,10H2,1H3,(H2,20,25);3-4,7-8,10,24H,6,9H2,1H3,(H2,17,22)/t2*13?,14?,21-;21-;19-;16-/m00000/s1
• InChIKey: ACXXSGJEHVTGFG-JZHKBRGJSA-N
• XLogP: 0.63
• TPSA: 558.81 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 10
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1852.01
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide?

The IUPAC name of 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide (CID 157075565) is 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide is CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4c3CCCC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3ccc(C(N)=O)n3)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3C3CC(C4)C3)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CC3CC4C3)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CCC4)c2)C1=O.

What is the InChIKey of 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide?

The InChIKey is ACXXSGJEHVTGFG-JZHKBRGJSA-N. The full InChI is InChI=1S/2C21H21N5O3.C21H22N4O3.C19H19N5O3.C16H15N5O3/c1-25-7-5-21(29,20(25)28)4-2-12-3-6-23-16(11-12)26-18-14-8-13(9-14)10-15(18)17(24-26)19(22)27;1-25-7-5-21(29,20(25)28)4-2-12-3-6-23-16(11-12)26-15-10-13-8-14(9-13)17(15)18(24-26)19(22)27;1-24-12-11-21(28,20(24)27)10-9-14-5-4-6-15(13-14)25-17-8-3-2-7-16(17)18(23-25)19(22)26;1-23-10-8-19(27,18(23)26)7-5-12-6-9-21-15(11-12)24-14-4-2-3-13(14)16(22-24)17(20)25;1-20-9-6-16(24,15(20)23)5-2-11-3-7-18-13(10-11)21-8-4-12(19-21)14(17)22/h2*3,6,11,13-14,29H,5,7-10H2,1H3,(H2,22,27);4-6,13,28H,2-3,7-8,11-12H2,1H3,(H2,22,26);6,9,11,27H,2-4,8,10H2,1H3,(H2,20,25);3-4,7-8,10,24H,6,9H2,1H3,(H2,17,22)/t2*13?,14?,21-;21-;19-;16-/m00000/s1.

What are the key properties of 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide?

1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 1852.01 g/mol, XLogP of 0.63, 10 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide;3-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxamide;5-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 157075565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157075565 — identifiers, structure, computed properties (public domain)

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