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

C26H29F2N3O5 — CID 146273326

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(OCCC4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C26H29F2N3O5/c1-33-21-12-17(13-22(36-26(27)28)24(21)25(32)30-18-2-3-18)20-15-29-23-14-19(4-8-31(20)23)35-11-7-16-5-9-34-10-6-16/h4,8,12-16,18,26H,2-3,5-7,9-11H2,1H3,(H,30,32)
InChIKeyFPNPNYBQZUNHGQ-UHFFFAOYSA-N
MW501.53 g/mol
LogP4.70
Rot. Bonds10

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

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 146273326) has the molecular formula C26H29F2N3O5 and a molecular weight of 501.53 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID146273326
Molecular FormulaC26H29F2N3O5
Molecular Weight501.53 g/mol
Exact Mass501.21
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(OCCC4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C26H29F2N3O5/c1-33-21-12-17(13-22(36-26(27)28)24(21)25(32)30-18-2-3-18)20-15-29-23-14-19(4-8-31(20)23)35-11-7-16-5-9-34-10-6-16/h4,8,12-16,18,26H,2-3,5-7,9-11H2,1H3,(H,30,32)
InChIKeyFPNPNYBQZUNHGQ-UHFFFAOYSA-N
XLogP4.70
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide (CID 146273326) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(OCCC4CCOCC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is FPNPNYBQZUNHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N3O5/c1-33-21-12-17(13-22(36-26(27)28)24(21)25(32)30-18-2-3-18)20-15-29-23-14-19(4-8-31(20)23)35-11-7-16-5-9-34-10-6-16/h4,8,12-16,18,26H,2-3,5-7,9-11H2,1H3,(H,30,32).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 501.53 g/mol, XLogP of 4.70, 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)-6-methoxy-4-[7-[2-(oxan-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 146273326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).