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

C23H27F2N5O3 — CID 146275381

IUPACN-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide
SMILESCNc1cc(-c2cnc3cc(OCCN(C)C)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C23H27F2N5O3/c1-26-17-10-14(11-19(33-23(24)25)21(17)22(31)28-15-4-5-15)18-13-27-20-12-16(6-7-30(18)20)32-9-8-29(2)3/h6-7,10-13,15,23,26H,4-5,8-9H2,1-3H3,(H,28,31)
InChIKeyQKXPPTRJPPSUEQ-UHFFFAOYSA-N
MW459.50 g/mol
LogP3.48
Rot. Bonds10

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

N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide (PubChem CID 146275381) has the molecular formula C23H27F2N5O3 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide
PubChem CID146275381
Molecular FormulaC23H27F2N5O3
Molecular Weight459.50 g/mol
Exact Mass459.21
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide
SMILESCNc1cc(-c2cnc3cc(OCCN(C)C)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C23H27F2N5O3/c1-26-17-10-14(11-19(33-23(24)25)21(17)22(31)28-15-4-5-15)18-13-27-20-12-16(6-7-30(18)20)32-9-8-29(2)3/h6-7,10-13,15,23,26H,4-5,8-9H2,1-3H3,(H,28,31)
InChIKeyQKXPPTRJPPSUEQ-UHFFFAOYSA-N
XLogP3.48
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-fluorobenzamide
CID 146273439
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(N-methylanilino)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146275328
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273347
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-methoxyimidazo[1,2-a]pyridin-3-yl)benzamide
CID 146275227
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)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273484
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2,2-dimethylpropoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146275278
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)-6-methoxy-4-[7-[(1-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146275382
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273517

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide (CID 146275381) is N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide is CNc1cc(-c2cnc3cc(OCCN(C)C)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide?
The InChIKey is QKXPPTRJPPSUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N5O3/c1-26-17-10-14(11-19(33-23(24)25)21(17)22(31)28-15-4-5-15)18-13-27-20-12-16(6-7-30(18)20)32-9-8-29(2)3/h6-7,10-13,15,23,26H,4-5,8-9H2,1-3H3,(H,28,31).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide?
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide has a molecular weight of 459.50 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-4-[7-[2-(dimethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-(methylamino)benzamide is sourced from PubChem (CID 146275381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).