N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide

C27H32F2N4O5 — CID 146273341

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(OCC(C)(C)N4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C27H32F2N4O5/c1-27(2,32-8-10-36-11-9-32)16-37-19-6-7-33-20(15-30-23(33)14-19)17-12-21(35-3)24(22(13-17)38-26(28)29)25(34)31-18-4-5-18/h6-7,12-15,18,26H,4-5,8-11,16H2,1-3H3,(H,31,34)
InChIKeyVDYAIJXLRUDJHD-UHFFFAOYSA-N
MW530.57 g/mol
LogP3.99
Rot. Bonds10

About N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 146273341) has the molecular formula C27H32F2N4O5 and a molecular weight of 530.57 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID146273341
Molecular FormulaC27H32F2N4O5
Molecular Weight530.57 g/mol
Exact Mass530.23
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(OCC(C)(C)N4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C27H32F2N4O5/c1-27(2,32-8-10-36-11-9-32)16-37-19-6-7-33-20(15-30-23(33)14-19)17-12-21(35-3)24(22(13-17)38-26(28)29)25(34)31-18-4-5-18/h6-7,12-15,18,26H,4-5,8-11,16H2,1-3H3,(H,31,34)
InChIKeyVDYAIJXLRUDJHD-UHFFFAOYSA-N
XLogP3.99
TPSA86.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 146273341) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(OCC(C)(C)N4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is VDYAIJXLRUDJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N4O5/c1-27(2,32-8-10-36-11-9-32)16-37-19-6-7-33-20(15-30-23(33)14-19)17-12-21(35-3)24(22(13-17)38-26(28)29)25(34)31-18-4-5-18/h6-7,12-15,18,26H,4-5,8-11,16H2,1-3H3,(H,31,34).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 530.57 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-2-morpholin-4-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 146273341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).