N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide

C24H28F2N4O4 — CID 146273228

IUPACN-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
SMILESCOc1cc(-c2cnc3cc(OCCCN(C)C)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C24H28F2N4O4/c1-29(2)8-4-10-33-17-7-9-30-18(14-27-21(30)13-17)15-11-19(32-3)22(20(12-15)34-24(25)26)23(31)28-16-5-6-16/h7,9,11-14,16,24H,4-6,8,10H2,1-3H3,(H,28,31)
InChIKeyRGJXBOFCNJBLKT-UHFFFAOYSA-N
MW474.51 g/mol
LogP3.83
Rot. Bonds11

About N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide

N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide (PubChem CID 146273228) has the molecular formula C24H28F2N4O4 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
PubChem CID146273228
Molecular FormulaC24H28F2N4O4
Molecular Weight474.51 g/mol
Exact Mass474.21
IUPAC NameN-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
SMILESCOc1cc(-c2cnc3cc(OCCCN(C)C)ccn23)cc(OC(F)F)c1C(=O)NC1CC1
InChIInChI=1S/C24H28F2N4O4/c1-29(2)8-4-10-33-17-7-9-30-18(14-27-21(30)13-17)15-11-19(32-3)22(20(12-15)34-24(25)26)23(31)28-16-5-6-16/h7,9,11-14,16,24H,4-6,8,10H2,1-3H3,(H,28,31)
InChIKeyRGJXBOFCNJBLKT-UHFFFAOYSA-N
XLogP3.83
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-cyclopropyloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283326
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 77106864
8-Methoxy-6-(7-(2-morpholinoethoxy)imidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1(2H)-one
CID 146273261
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 162653315
(R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluoromethoxy)phenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 11656480
4-[8-(3,4-Dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-2-methoxybenzamide
CID 44188391
N-cyclopropyl-4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 66554609
US9718828, Example, 477
CID 71235493
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-propan-2-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283304
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 90283602
US10040805, Example 18
CID 121455017

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide?
The IUPAC name of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide (CID 146273228) is N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide is COc1cc(-c2cnc3cc(OCCCN(C)C)ccn23)cc(OC(F)F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide?
The InChIKey is RGJXBOFCNJBLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O4/c1-29(2)8-4-10-33-17-7-9-30-18(14-27-21(30)13-17)15-11-19(32-3)22(20(12-15)34-24(25)26)23(31)28-16-5-6-16/h7,9,11-14,16,24H,4-6,8,10H2,1-3H3,(H,28,31).
What are the key properties of N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide?
N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide has a molecular weight of 474.51 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(difluoromethoxy)-4-[7-[3-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide is sourced from PubChem (CID 146273228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).