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

C24H21F2N5O3 — CID 154636406

IUPACN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(-c4ccc(C)nn4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C24H21F2N5O3/c1-13-3-6-17(30-29-13)14-7-8-31-18(12-27-21(31)11-14)15-9-19(33-2)22(20(10-15)34-24(25)26)23(32)28-16-4-5-16/h3,6-12,16,24H,4-5H2,1-2H3,(H,28,32)
InChIKeyBMTPKAWXYIILHD-UHFFFAOYSA-N
MW465.46 g/mol
LogP4.27
Rot. Bonds7

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

N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 154636406) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID154636406
Molecular FormulaC24H21F2N5O3
Molecular Weight465.46 g/mol
Exact Mass465.16
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1cc(-c2cnc3cc(-c4ccc(C)nn4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C24H21F2N5O3/c1-13-3-6-17(30-29-13)14-7-8-31-18(12-27-21(31)11-14)15-9-19(33-2)22(20(10-15)34-24(25)26)23(32)28-16-4-5-16/h3,6-12,16,24H,4-5H2,1-2H3,(H,28,32)
InChIKeyBMTPKAWXYIILHD-UHFFFAOYSA-N
XLogP4.27
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.27
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-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 154636406) is N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(-c4ccc(C)nn4)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is BMTPKAWXYIILHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3/c1-13-3-6-17(30-29-13)14-7-8-31-18(12-27-21(31)11-14)15-9-19(33-2)22(20(10-15)34-24(25)26)23(32)28-16-4-5-16/h3,6-12,16,24H,4-5H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 465.46 g/mol, XLogP of 4.27, 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-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 154636406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).