4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide

C26H23F4N3O5 — CID 122503170

IUPAC4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide
SMILESCOc1cc(C(=O)NCC(O)(c2nc(-c3ccc(F)cc3)c3ccccn23)C(F)(F)F)ccc1OCCO
InChIInChI=1S/C26H23F4N3O5/c1-37-21-14-17(7-10-20(21)38-13-12-34)23(35)31-15-25(36,26(28,29)30)24-32-22(16-5-8-18(27)9-6-16)19-4-2-3-11-33(19)24/h2-11,14,34,36H,12-13,15H2,1H3,(H,31,35)
InChIKeyHWKUPBAJNQVJJQ-UHFFFAOYSA-N
MW533.48 g/mol
LogP3.70
Rot. Bonds9

About 4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide

4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide (PubChem CID 122503170) has the molecular formula C26H23F4N3O5 and a molecular weight of 533.48 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide
PubChem CID122503170
Molecular FormulaC26H23F4N3O5
Molecular Weight533.48 g/mol
Exact Mass533.16
IUPAC Name4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide
SMILESCOc1cc(C(=O)NCC(O)(c2nc(-c3ccc(F)cc3)c3ccccn23)C(F)(F)F)ccc1OCCO
InChIInChI=1S/C26H23F4N3O5/c1-37-21-14-17(7-10-20(21)38-13-12-34)23(35)31-15-25(36,26(28,29)30)24-32-22(16-5-8-18(27)9-6-16)19-4-2-3-11-33(19)24/h2-11,14,34,36H,12-13,15H2,1H3,(H,31,35)
InChIKeyHWKUPBAJNQVJJQ-UHFFFAOYSA-N
XLogP3.70
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.48
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 122502888
5,5,5-trifluoro-4-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 161026422
ethane;4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-piperazin-1-yl-2-pyridinyl]-2-hydroxypropyl]benzamide
CID 145145887
N-[2-[(3S)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 134323035
ethane;4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-piperidin-4-yl-2-pyridinyl]-2-hydroxypropyl]benzamide
CID 145146150
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-1,2-dihydropyrrolo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide
CID 122503157
N-[2-[3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-methylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 139444296
N-[2-(3-amino-3-methyl-7-pyridin-4-yl-2H-furo[2,3-c]pyridin-5-yl)-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 122502799
1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 58023387
N-[2-[3,3-dimethyl-7-(1-methyl-6-oxo-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 145146008
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 166688325
N-[2-[4-(azetidin-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-4-[(2R)-2-hydroxypropoxy]-3-methoxybenzamide
CID 139332020

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide?
The IUPAC name of 4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide (CID 122503170) is 4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide is COc1cc(C(=O)NCC(O)(c2nc(-c3ccc(F)cc3)c3ccccn23)C(F)(F)F)ccc1OCCO.
What is the InChIKey of 4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide?
The InChIKey is HWKUPBAJNQVJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N3O5/c1-37-21-14-17(7-10-20(21)38-13-12-34)23(35)31-15-25(36,26(28,29)30)24-32-22(16-5-8-18(27)9-6-16)19-4-2-3-11-33(19)24/h2-11,14,34,36H,12-13,15H2,1H3,(H,31,35).
What are the key properties of 4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide?
4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide has a molecular weight of 533.48 g/mol, XLogP of 3.70, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide is sourced from PubChem (CID 122503170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).