7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

C23H20N4O3 — CID 134295356

IUPAC7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccn2c(C(N)=O)nc(-c3cccc(C#CC4C(=O)N(C)[C@@H]5C[C@H]45)c3)c2c1
InChIInChI=1S/C23H20N4O3/c1-26-18-12-17(18)16(23(26)29)7-6-13-4-3-5-14(10-13)20-19-11-15(30-2)8-9-27(19)22(25-20)21(24)28/h3-5,8-11,16-18H,12H2,1-2H3,(H2,24,28)/t16?,17-,18-/m1/s1
InChIKeyFZMRPQLQVUGMMK-UKKPGEIXSA-N
MW400.44 g/mol
LogP1.94
Rot. Bonds3

About 7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide

7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 134295356) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID134295356
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccn2c(C(N)=O)nc(-c3cccc(C#CC4C(=O)N(C)[C@@H]5C[C@H]45)c3)c2c1
InChIInChI=1S/C23H20N4O3/c1-26-18-12-17(18)16(23(26)29)7-6-13-4-3-5-14(10-13)20-19-11-15(30-2)8-9-27(19)22(25-20)21(24)28/h3-5,8-11,16-18H,12H2,1-2H3,(H2,24,28)/t16?,17-,18-/m1/s1
InChIKeyFZMRPQLQVUGMMK-UKKPGEIXSA-N
XLogP1.94
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 134295356) is 7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is COc1ccn2c(C(N)=O)nc(-c3cccc(C#CC4C(=O)N(C)[C@@H]5C[C@H]45)c3)c2c1.
What is the InChIKey of 7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FZMRPQLQVUGMMK-UKKPGEIXSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-26-18-12-17(18)16(23(26)29)7-6-13-4-3-5-14(10-13)20-19-11-15(30-2)8-9-27(19)22(25-20)21(24)28/h3-5,8-11,16-18H,12H2,1-2H3,(H2,24,28)/t16?,17-,18-/m1/s1.
What are the key properties of 7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[3-[2-[(1R,5R)-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 134295356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).