2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile

C26H27F2N3O4 — CID 155349593

IUPAC2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile
SMILESCOc1cc(-c2cnc3cc(C(C)(C#N)CO)ccn23)cc(OC(F)F)c1C(=O)CCCC1CC1
InChIInChI=1S/C26H27F2N3O4/c1-26(14-29,15-32)18-8-9-31-19(13-30-23(31)12-18)17-10-21(34-2)24(22(11-17)35-25(27)28)20(33)5-3-4-16-6-7-16/h8-13,16,25,32H,3-7,15H2,1-2H3
InChIKeySKPRLWBZUQZQIX-UHFFFAOYSA-N
MW483.52 g/mol
LogP5.15
Rot. Bonds11

About 2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile

2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile (PubChem CID 155349593) has the molecular formula C26H27F2N3O4 and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile
PubChem CID155349593
Molecular FormulaC26H27F2N3O4
Molecular Weight483.52 g/mol
Exact Mass483.20
IUPAC Name2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile
SMILESCOc1cc(-c2cnc3cc(C(C)(C#N)CO)ccn23)cc(OC(F)F)c1C(=O)CCCC1CC1
InChIInChI=1S/C26H27F2N3O4/c1-26(14-29,15-32)18-8-9-31-19(13-30-23(31)12-18)17-10-21(34-2)24(22(11-17)35-25(27)28)20(33)5-3-4-16-6-7-16/h8-13,16,25,32H,3-7,15H2,1-2H3
InChIKeySKPRLWBZUQZQIX-UHFFFAOYSA-N
XLogP5.15
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.52
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile with MolForge

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Related Compounds

US9908886, Example 157
CID 117855120
US20240025892, Example 68
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1-[4-[4-[3-(Butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl]phenyl]ethanone;2,2,2-trifluoroacetic acid
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N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
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4-[7-(4-acetylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 172439192
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 172446593
N-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxane-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile?
The IUPAC name of 2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile (CID 155349593) is 2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile.
What is the SMILES notation for 2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile?
The canonical SMILES for 2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile is COc1cc(-c2cnc3cc(C(C)(C#N)CO)ccn23)cc(OC(F)F)c1C(=O)CCCC1CC1.
What is the InChIKey of 2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile?
The InChIKey is SKPRLWBZUQZQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O4/c1-26(14-29,15-32)18-8-9-31-19(13-30-23(31)12-18)17-10-21(34-2)24(22(11-17)35-25(27)28)20(33)5-3-4-16-6-7-16/h8-13,16,25,32H,3-7,15H2,1-2H3.
What are the key properties of 2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile?
2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile has a molecular weight of 483.52 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-cyclopropylbutanoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3-hydroxy-2-methylpropanenitrile is sourced from PubChem (CID 155349593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).