7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C101H93N23O15 — CID 157352044

About 7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 157352044) has the molecular formula C101H93N23O15 and a molecular weight of 1869.00 g/mol. Its IUPAC name is 7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 157352044
• Molecular Formula: C101H93N23O15
• Molecular Weight: 1869.00 g/mol
• Exact Mass: 1867.72
• IUPAC Name: 7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccccn34)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4n3CCCC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4c3NCC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4cccnc34)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4cccnc34)c2)C1=O
• InChI: InChI=1S/C21H22N4O3.C21H18N4O3.2C20H17N5O3.C19H19N5O3/c2*1-24-12-10-21(28,20(24)27)9-8-14-5-4-6-15(13-14)19-23-17(18(22)26)16-7-2-3-11-25(16)19;2*1-24-11-8-20(28,19(24)27)7-6-13-4-2-5-14(12-13)15-17-22-9-3-10-25(17)18(23-15)16(21)26;1-23-9-7-19(27,18(23)26)6-5-12-3-2-4-13(11-12)14-16-21-8-10-24(16)17(22-14)15(20)25/h4-6,13,28H,2-3,7,10-12H2,1H3,(H2,22,26);2-7,11,13,28H,10,12H2,1H3,(H2,22,26);2*2-5,9-10,12,28H,8,11H2,1H3,(H2,21,26);2-4,11,21,27H,7-10H2,1H3,(H2,20,25)/t2*21-;2*20-;19-/m00000/s1
• InChIKey: BHQOTZLMIZURJH-UMBTZVOVSA-N
• XLogP: 2.87
• TPSA: 543.50 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1869.00
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of 7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 157352044) is 7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for 7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for 7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4ccccn34)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)c4n3CCCC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4c3NCC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4cccnc34)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4cccnc34)c2)C1=O.

What is the InChIKey of 7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is BHQOTZLMIZURJH-UMBTZVOVSA-N. The full InChI is InChI=1S/C21H22N4O3.C21H18N4O3.2C20H17N5O3.C19H19N5O3/c2*1-24-12-10-21(28,20(24)27)9-8-14-5-4-6-15(13-14)19-23-17(18(22)26)16-7-2-3-11-25(16)19;2*1-24-11-8-20(28,19(24)27)7-6-13-4-2-5-14(12-13)15-17-22-9-3-10-25(17)18(23-15)16(21)26;1-23-9-7-19(27,18(23)26)6-5-12-3-2-4-13(11-12)14-16-21-8-10-24(16)17(22-14)15(20)25/h4-6,13,28H,2-3,7,10-12H2,1H3,(H2,22,26);2-7,11,13,28H,10,12H2,1H3,(H2,22,26);2*2-5,9-10,12,28H,8,11H2,1H3,(H2,21,26);2-4,11,21,27H,7-10H2,1H3,(H2,20,25)/t2*21-;2*20-;19-/m00000/s1.

What are the key properties of 7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 1869.00 g/mol, XLogP of 2.87, 10 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-2,3-dihydro-1H-imidazo[1,2-c]imidazole-5-carboxamide;3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-1-carboxamide;bis(8-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyrimidine-6-carboxamide);3-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 157352044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).