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

C24H27F2N5O3 — CID 166064403

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(N4CCN(C)CC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C24H27F2N5O3/c1-29-7-9-30(10-8-29)17-5-6-31-18(14-27-21(31)13-17)15-11-19(33-2)22(20(12-15)34-24(25)26)23(32)28-16-3-4-16/h5-6,11-14,16,24H,3-4,7-10H2,1-2H3,(H,28,32)
InChIKeyZXYITDGKYOBFAO-UHFFFAOYSA-N
MW471.51 g/mol
LogP3.26
Rot. Bonds7

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

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 166064403) has the molecular formula C24H27F2N5O3 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID166064403
Molecular FormulaC24H27F2N5O3
Molecular Weight471.51 g/mol
Exact Mass471.21
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(N4CCN(C)CC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C24H27F2N5O3/c1-29-7-9-30(10-8-29)17-5-6-31-18(14-27-21(31)13-17)15-11-19(33-2)22(20(12-15)34-24(25)26)23(32)28-16-3-4-16/h5-6,11-14,16,24H,3-4,7-10H2,1-2H3,(H,28,32)
InChIKeyZXYITDGKYOBFAO-UHFFFAOYSA-N
XLogP3.26
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.26
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-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 166064403) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(N4CCN(C)CC4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is ZXYITDGKYOBFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O3/c1-29-7-9-30(10-8-29)17-5-6-31-18(14-27-21(31)13-17)15-11-19(33-2)22(20(12-15)34-24(25)26)23(32)28-16-3-4-16/h5-6,11-14,16,24H,3-4,7-10H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 471.51 g/mol, XLogP of 3.26, 7 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-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 166064403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).