3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C26H21N5OS — CID 143670721

IUPAC3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILES[H]/N=C/c1cccc(-c2ncn3cc(C(CC(=O)Nc4nccs4)c4ccccc4)ccc23)c1
InChIInChI=1S/C26H21N5OS/c27-15-18-5-4-8-20(13-18)25-23-10-9-21(16-31(23)17-29-25)22(19-6-2-1-3-7-19)14-24(32)30-26-28-11-12-33-26/h1-13,15-17,22,27H,14H2,(H,28,30,32)/b27-15+
InChIKeyOMQVEKGKGWWJRV-JFLMPSFJSA-N
MW451.56 g/mol
LogP5.62
Rot. Bonds7

About 3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 143670721) has the molecular formula C26H21N5OS and a molecular weight of 451.56 g/mol. Its IUPAC name is 3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID143670721
Molecular FormulaC26H21N5OS
Molecular Weight451.56 g/mol
Exact Mass451.15
IUPAC Name3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILES[H]/N=C/c1cccc(-c2ncn3cc(C(CC(=O)Nc4nccs4)c4ccccc4)ccc23)c1
InChIInChI=1S/C26H21N5OS/c27-15-18-5-4-8-20(13-18)25-23-10-9-21(16-31(23)17-29-25)22(19-6-2-1-3-7-19)14-24(32)30-26-28-11-12-33-26/h1-13,15-17,22,27H,14H2,(H,28,30,32)/b27-15+
InChIKeyOMQVEKGKGWWJRV-JFLMPSFJSA-N
XLogP5.62
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 143670721) is 3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is [H]/N=C/c1cccc(-c2ncn3cc(C(CC(=O)Nc4nccs4)c4ccccc4)ccc23)c1.
What is the InChIKey of 3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is OMQVEKGKGWWJRV-JFLMPSFJSA-N. The full InChI is InChI=1S/C26H21N5OS/c27-15-18-5-4-8-20(13-18)25-23-10-9-21(16-31(23)17-29-25)22(19-6-2-1-3-7-19)14-24(32)30-26-28-11-12-33-26/h1-13,15-17,22,27H,14H2,(H,28,30,32)/b27-15+.
What are the key properties of 3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 451.56 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methanimidoylphenyl)imidazo[1,5-a]pyridin-6-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 143670721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).