N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane

C29H39F2N3O3 — CID 155727282

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane
SMILESCC.COc1cc(-c2cnc3cc(C(C)CCCC(C)C)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C27H33F2N3O3.C2H6/c1-16(2)6-5-7-17(3)18-10-11-32-21(15-30-24(32)14-18)19-12-22(34-4)25(23(13-19)35-27(28)29)26(33)31-20-8-9-20;1-2/h10-17,20,27H,5-9H2,1-4H3,(H,31,33);1-2H3
InChIKeyKCLVWKNSAPBIIZ-UHFFFAOYSA-N
MW515.65 g/mol
LogP7.46
Rot. Bonds11

About N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane (PubChem CID 155727282) has the molecular formula C29H39F2N3O3 and a molecular weight of 515.65 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane
PubChem CID155727282
Molecular FormulaC29H39F2N3O3
Molecular Weight515.65 g/mol
Exact Mass515.30
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane
SMILESCC.COc1cc(-c2cnc3cc(C(C)CCCC(C)C)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C27H33F2N3O3.C2H6/c1-16(2)6-5-7-17(3)18-10-11-32-21(15-30-24(32)14-18)19-12-22(34-4)25(23(13-19)35-27(28)29)26(33)31-20-8-9-20;1-2/h10-17,20,27H,5-9H2,1-4H3,(H,31,33);1-2H3
InChIKeyKCLVWKNSAPBIIZ-UHFFFAOYSA-N
XLogP7.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.65
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane (CID 155727282) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane is CC.COc1cc(-c2cnc3cc(C(C)CCCC(C)C)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane?
The InChIKey is KCLVWKNSAPBIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F2N3O3.C2H6/c1-16(2)6-5-7-17(3)18-10-11-32-21(15-30-24(32)14-18)19-12-22(34-4)25(23(13-19)35-27(28)29)26(33)31-20-8-9-20;1-2/h10-17,20,27H,5-9H2,1-4H3,(H,31,33);1-2H3.
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane has a molecular weight of 515.65 g/mol, XLogP of 7.46, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylheptan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;ethane is sourced from PubChem (CID 155727282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).