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

C27H32F2N4O4 — CID 146273382

IUPACN-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
SMILESCCN1CCCCC1COc1ccn2c(-c3cc(OC)c(C(=O)NC4CC4)c(OC(F)F)c3)cnc2c1
InChIInChI=1S/C27H32F2N4O4/c1-3-32-10-5-4-6-19(32)16-36-20-9-11-33-21(15-30-24(33)14-20)17-12-22(35-2)25(23(13-17)37-27(28)29)26(34)31-18-7-8-18/h9,11-15,18-19,27H,3-8,10,16H2,1-2H3,(H,31,34)
InChIKeyJZHYQTJUZJBULM-UHFFFAOYSA-N
MW514.57 g/mol
LogP4.76
Rot. Bonds10

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

N-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide (PubChem CID 146273382) has the molecular formula C27H32F2N4O4 and a molecular weight of 514.57 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
PubChem CID146273382
Molecular FormulaC27H32F2N4O4
Molecular Weight514.57 g/mol
Exact Mass514.24
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
SMILESCCN1CCCCC1COc1ccn2c(-c3cc(OC)c(C(=O)NC4CC4)c(OC(F)F)c3)cnc2c1
InChIInChI=1S/C27H32F2N4O4/c1-3-32-10-5-4-6-19(32)16-36-20-9-11-33-21(15-30-24(33)14-20)17-12-22(35-2)25(23(13-17)37-27(28)29)26(34)31-18-7-8-18/h9,11-15,18-19,27H,3-8,10,16H2,1-2H3,(H,31,34)
InChIKeyJZHYQTJUZJBULM-UHFFFAOYSA-N
XLogP4.76
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[(1-prop-2-ynylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146275396
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
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)benzamide
CID 146275227
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
2-tert-butyl-3-[[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 175549255
4-[7-(2-aminoethoxy)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 146273253
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-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273462
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
methyl 1-[2-[3-[4-(cyclopropylcarbamoyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]azetidine-3-carboxylate
CID 146273414
4-[7-[[(3R,4S)-1-benzyl-4-hydroxypiperidin-3-yl]methoxy]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 155797827

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide (CID 146273382) is N-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide is CCN1CCCCC1COc1ccn2c(-c3cc(OC)c(C(=O)NC4CC4)c(OC(F)F)c3)cnc2c1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide?
The InChIKey is JZHYQTJUZJBULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N4O4/c1-3-32-10-5-4-6-19(32)16-36-20-9-11-33-21(15-30-24(33)14-20)17-12-22(35-2)25(23(13-17)37-27(28)29)26(34)31-18-7-8-18/h9,11-15,18-19,27H,3-8,10,16H2,1-2H3,(H,31,34).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide?
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide has a molecular weight of 514.57 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-4-[7-[(1-ethylpiperidin-2-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide is sourced from PubChem (CID 146273382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).