1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

C55H46ClN9O8 — CID 157221359

IUPAC1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCN1CC[C@@](O)(C#Cc2cccc(-c3ccn4c(C(N)=O)nc(-c5cccc(C#C[C@]6(O)CCN(C)C6=O)c5)c4c3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4ccc(Cl)cc34)c2)C1=O
InChIInChI=1S/C34H29N5O5.C21H17ClN4O3/c1-37-17-14-33(43,31(37)41)12-9-22-5-3-7-24(19-22)25-11-16-39-27(21-25)28(36-30(39)29(35)40)26-8-4-6-23(20-26)10-13-34(44)15-18-38(2)32(34)42;1-25-10-8-21(29,20(25)28)7-5-13-3-2-4-14(11-13)17-16-12-15(22)6-9-26(16)19(24-17)18(23)27/h3-8,11,16,19-21,43-44H,14-15,17-18H2,1-2H3,(H2,35,40);2-4,6,9,11-12,29H,8,10H2,1H3,(H2,23,27)/t33-,34-;21-/m00/s1
InChIKeyATALCCBWFKLBON-LMBLLKHBSA-N
MW996.48 g/mol
LogP3.35
Rot. Bonds5

About 1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 157221359) has the molecular formula C55H46ClN9O8 and a molecular weight of 996.48 g/mol. Its IUPAC name is 1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID157221359
Molecular FormulaC55H46ClN9O8
Molecular Weight996.48 g/mol
Exact Mass995.32
IUPAC Name1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCN1CC[C@@](O)(C#Cc2cccc(-c3ccn4c(C(N)=O)nc(-c5cccc(C#C[C@]6(O)CCN(C)C6=O)c5)c4c3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4ccc(Cl)cc34)c2)C1=O
InChIInChI=1S/C34H29N5O5.C21H17ClN4O3/c1-37-17-14-33(43,31(37)41)12-9-22-5-3-7-24(19-22)25-11-16-39-27(21-25)28(36-30(39)29(35)40)26-8-4-6-23(20-26)10-13-34(44)15-18-38(2)32(34)42;1-25-10-8-21(29,20(25)28)7-5-13-3-2-4-14(11-13)17-16-12-15(22)6-9-26(16)19(24-17)18(23)27/h3-8,11,16,19-21,43-44H,14-15,17-18H2,1-2H3,(H2,35,40);2-4,6,9,11-12,29H,8,10H2,1H3,(H2,23,27)/t33-,34-;21-/m00/s1
InChIKeyATALCCBWFKLBON-LMBLLKHBSA-N
XLogP3.35
TPSA242.40 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.48
LogP ≤ 53.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 157221359) is 1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is CN1CC[C@@](O)(C#Cc2cccc(-c3ccn4c(C(N)=O)nc(-c5cccc(C#C[C@]6(O)CCN(C)C6=O)c5)c4c3)c2)C1=O.CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4ccc(Cl)cc34)c2)C1=O.
What is the InChIKey of 1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ATALCCBWFKLBON-LMBLLKHBSA-N. The full InChI is InChI=1S/C34H29N5O5.C21H17ClN4O3/c1-37-17-14-33(43,31(37)41)12-9-22-5-3-7-24(19-22)25-11-16-39-27(21-25)28(36-30(39)29(35)40)26-8-4-6-23(20-26)10-13-34(44)15-18-38(2)32(34)42;1-25-10-8-21(29,20(25)28)7-5-13-3-2-4-14(11-13)17-16-12-15(22)6-9-26(16)19(24-17)18(23)27/h3-8,11,16,19-21,43-44H,14-15,17-18H2,1-2H3,(H2,35,40);2-4,6,9,11-12,29H,8,10H2,1H3,(H2,23,27)/t33-,34-;21-/m00/s1.
What are the key properties of 1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 996.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide;7-chloro-1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 157221359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).