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

C25H28F2N4O5 — CID 146275389

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C25H28F2N4O5/c1-33-20-12-16(13-21(36-25(26)27)23(20)24(32)29-17-2-3-17)19-15-28-22-14-18(4-5-31(19)22)35-11-8-30-6-9-34-10-7-30/h4-5,12-15,17,25H,2-3,6-11H2,1H3,(H,29,32)
InChIKeyKNOCCCXGASNIAF-UHFFFAOYSA-N
MW502.52 g/mol
LogP3.21
Rot. Bonds10

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

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 146275389) has the molecular formula C25H28F2N4O5 and a molecular weight of 502.52 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID146275389
Molecular FormulaC25H28F2N4O5
Molecular Weight502.52 g/mol
Exact Mass502.20
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C25H28F2N4O5/c1-33-20-12-16(13-21(36-25(26)27)23(20)24(32)29-17-2-3-17)19-15-28-22-14-18(4-5-31(19)22)35-11-8-30-6-9-34-10-7-30/h4-5,12-15,17,25H,2-3,6-11H2,1H3,(H,29,32)
InChIKeyKNOCCCXGASNIAF-UHFFFAOYSA-N
XLogP3.21
TPSA86.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.52
LogP ≤ 53.21
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-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 146275389) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(OCCN4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is KNOCCCXGASNIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O5/c1-33-20-12-16(13-21(36-25(26)27)23(20)24(32)29-17-2-3-17)19-15-28-22-14-18(4-5-31(19)22)35-11-8-30-6-9-34-10-7-30/h4-5,12-15,17,25H,2-3,6-11H2,1H3,(H,29,32).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 502.52 g/mol, XLogP of 3.21, 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-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 146275389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).