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

C22H18N4O3 — CID 138559291

IUPAC1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCN1C(=O)[C@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4ccccc34)c2)[C@@H]2C[C@@H]21
InChIInChI=1S/C22H18N4O3/c1-25-17-12-15(17)22(29,21(25)28)9-8-13-5-4-6-14(11-13)18-16-7-2-3-10-26(16)20(24-18)19(23)27/h2-7,10-11,15,17,29H,12H2,1H3,(H2,23,27)/t15-,17+,22+/m1/s1
InChIKeyABXMJYQXZPZSMF-ZWWNWMABSA-N
MW386.41 g/mol
LogP1.04
Rot. Bonds2

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

1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 138559291) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID138559291
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESCN1C(=O)[C@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4ccccc34)c2)[C@@H]2C[C@@H]21
InChIInChI=1S/C22H18N4O3/c1-25-17-12-15(17)22(29,21(25)28)9-8-13-5-4-6-14(11-13)18-16-7-2-3-10-26(16)20(24-18)19(23)27/h2-7,10-11,15,17,29H,12H2,1H3,(H2,23,27)/t15-,17+,22+/m1/s1
InChIKeyABXMJYQXZPZSMF-ZWWNWMABSA-N
XLogP1.04
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(1S,4R,5R)-4-hydroxy-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 1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 138559291) is 1-[3-[2-[(1S,4R,5R)-4-hydroxy-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 1-[3-[2-[(1S,4R,5R)-4-hydroxy-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 1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide is CN1C(=O)[C@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4ccccc34)c2)[C@@H]2C[C@@H]21.
What is the InChIKey of 1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ABXMJYQXZPZSMF-ZWWNWMABSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-25-17-12-15(17)22(29,21(25)28)9-8-13-5-4-6-14(11-13)18-16-7-2-3-10-26(16)20(24-18)19(23)27/h2-7,10-11,15,17,29H,12H2,1H3,(H2,23,27)/t15-,17+,22+/m1/s1.
What are the key properties of 1-[3-[2-[(1S,4R,5R)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl]phenyl]imidazo[1,5-a]pyridine-3-carboxamide?
1-[3-[2-[(1S,4R,5R)-4-hydroxy-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 386.41 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(1S,4R,5R)-4-hydroxy-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 138559291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).