N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide

C30H38F2N4O6S — CID 167640575

IUPACN-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCOc1cc(-c2cnc3cc(OCCCN4CCC(N(C)S(C)(=O)=O)CC4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
InChIInChI=1S/C30H38F2N4O6S/c1-34(43(3,38)39)22-7-11-35(12-8-22)10-4-14-41-23-9-13-36-24(19-33-28(36)18-23)21-16-26(40-2)29(25(37)15-20-5-6-20)27(17-21)42-30(31)32/h9,13,16-20,22,30H,4-8,10-12,14-15H2,1-3H3
InChIKeyPCMYVBCOLDZKNH-UHFFFAOYSA-N
MW620.72 g/mol
LogP4.72
Rot. Bonds14

About N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 167640575) has the molecular formula C30H38F2N4O6S and a molecular weight of 620.72 g/mol. Its IUPAC name is N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID167640575
Molecular FormulaC30H38F2N4O6S
Molecular Weight620.72 g/mol
Exact Mass620.25
IUPAC NameN-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCOc1cc(-c2cnc3cc(OCCCN4CCC(N(C)S(C)(=O)=O)CC4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1
InChIInChI=1S/C30H38F2N4O6S/c1-34(43(3,38)39)22-7-11-35(12-8-22)10-4-14-41-23-9-13-36-24(19-33-28(36)18-23)21-16-26(40-2)29(25(37)15-20-5-6-20)27(17-21)42-30(31)32/h9,13,16-20,22,30H,4-8,10-12,14-15H2,1-3H3
InChIKeyPCMYVBCOLDZKNH-UHFFFAOYSA-N
XLogP4.72
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.72
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[3-(4-methylsulfonylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167563460
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[3-(3-hydroxypyrrolidin-1-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167691597
ethyl 1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidine-4-carboxylate
CID 167617551
1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]-4-fluoropiperidine-4-carboxamide
CID 167681650
1-[4-[7-[3-(1-azaspiro[3.3]heptan-1-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]-2-cyclopropylethanone
CID 167666458
2-cyclopropyl-1-[4-[7-[2-[2,2-difluoroethyl(methyl)amino]ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone
CID 167645780
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2-hydroxyethylamino)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167703173
2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-[2-(2-methylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167670192
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(dimethylamino)butoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167613118
2-cyclopropyl-1-[4-[7-[2-(3,3-difluorocyclobutyl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxyphenyl]ethanone
CID 167569924
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167552627
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 146273484

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 167640575) is N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide is COc1cc(-c2cnc3cc(OCCCN4CCC(N(C)S(C)(=O)=O)CC4)ccn23)cc(OC(F)F)c1C(=O)CC1CC1.
What is the InChIKey of N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is PCMYVBCOLDZKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2N4O6S/c1-34(43(3,38)39)22-7-11-35(12-8-22)10-4-14-41-23-9-13-36-24(19-33-28(36)18-23)21-16-26(40-2)29(25(37)15-20-5-6-20)27(17-21)42-30(31)32/h9,13,16-20,22,30H,4-8,10-12,14-15H2,1-3H3.
What are the key properties of N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 620.72 g/mol, XLogP of 4.72, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[3-[4-(2-cyclopropylacetyl)-3-(difluoromethoxy)-5-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 167640575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).