4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide

C26H27F2N5O5 — CID 146275387

IUPAC4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2cnc3cc(OCCN4CCOC(C#N)C4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C26H27F2N5O5/c1-35-21-10-16(11-22(38-26(27)28)24(21)25(34)31-17-2-3-17)20-14-30-23-12-18(4-5-33(20)23)36-8-6-32-7-9-37-19(13-29)15-32/h4-5,10-12,14,17,19,26H,2-3,6-9,15H2,1H3,(H,31,34)
InChIKeySJQXJLCOCNKOEY-UHFFFAOYSA-N
MW527.53 g/mol
LogP3.11
Rot. Bonds10

About 4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide

4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide (PubChem CID 146275387) has the molecular formula C26H27F2N5O5 and a molecular weight of 527.53 g/mol. Its IUPAC name is 4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide.

Molecular Properties

Compound Name4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
PubChem CID146275387
Molecular FormulaC26H27F2N5O5
Molecular Weight527.53 g/mol
Exact Mass527.20
IUPAC Name4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
SMILESCOc1cc(-c2cnc3cc(OCCN4CCOC(C#N)C4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C26H27F2N5O5/c1-35-21-10-16(11-22(38-26(27)28)24(21)25(34)31-17-2-3-17)20-14-30-23-12-18(4-5-33(20)23)36-8-6-32-7-9-37-19(13-29)15-32/h4-5,10-12,14,17,19,26H,2-3,6-9,15H2,1H3,(H,31,34)
InChIKeySJQXJLCOCNKOEY-UHFFFAOYSA-N
XLogP3.11
TPSA110.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate
CID 146273414
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273345
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273347
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273484
4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 146273253
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(1-morpholin-4-ylpropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273385
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)benzamide
CID 146275227
2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167670192
N-cyclopropyl-4-[7-[2-[(2,2-difluoroacetyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzamide;molecular hydrogen
CID 167590110
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2,2-dimethylpropoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146275278
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146275382
ethyl 1-[3-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxylate
CID 146273244

Frequently Asked Questions

What is the IUPAC name of 4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The IUPAC name of 4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide (CID 146275387) is 4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide.
What is the SMILES notation for 4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The canonical SMILES for 4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide is COc1cc(-c2cnc3cc(OCCN4CCOC(C#N)C4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of 4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
The InChIKey is SJQXJLCOCNKOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O5/c1-35-21-10-16(11-22(38-26(27)28)24(21)25(34)31-17-2-3-17)20-14-30-23-12-18(4-5-33(20)23)36-8-6-32-7-9-37-19(13-29)15-32/h4-5,10-12,14,17,19,26H,2-3,6-9,15H2,1H3,(H,31,34).
What are the key properties of 4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide?
4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide has a molecular weight of 527.53 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[2-(2-cyanomorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide is sourced from PubChem (CID 146275387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).