2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide

C27H31F4N7O4S2 — CID 178144450

IUPAC2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide
SMILESCOC1(C(=O)N2CCN(c3c(F)c(S(=O)(=O)NC4(CF)CC4)cn4c(-c5nnc(C(F)F)s5)c(C5CCC5)nc34)CC2)CC1
InChIInChI=1S/C27H31F4N7O4S2/c1-42-27(7-8-27)25(39)37-11-9-36(10-12-37)19-17(29)16(44(40,41)35-26(14-28)5-6-26)13-38-20(23-33-34-24(43-23)21(30)31)18(32-22(19)38)15-3-2-4-15/h13,15,21,35H,2-12,14H2,1H3
InChIKeyYDEZTBNTULSKIZ-UHFFFAOYSA-N
MW657.72 g/mol
LogP3.81
Rot. Bonds10

About 2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide

2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide (PubChem CID 178144450) has the molecular formula C27H31F4N7O4S2 and a molecular weight of 657.72 g/mol. Its IUPAC name is 2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide.

Molecular Properties

Compound Name2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide
PubChem CID178144450
Molecular FormulaC27H31F4N7O4S2
Molecular Weight657.72 g/mol
Exact Mass657.18
IUPAC Name2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide
SMILESCOC1(C(=O)N2CCN(c3c(F)c(S(=O)(=O)NC4(CF)CC4)cn4c(-c5nnc(C(F)F)s5)c(C5CCC5)nc34)CC2)CC1
InChIInChI=1S/C27H31F4N7O4S2/c1-42-27(7-8-27)25(39)37-11-9-36(10-12-37)19-17(29)16(44(40,41)35-26(14-28)5-6-26)13-38-20(23-33-34-24(43-23)21(30)31)18(32-22(19)38)15-3-2-4-15/h13,15,21,35H,2-12,14H2,1H3
InChIKeyYDEZTBNTULSKIZ-UHFFFAOYSA-N
XLogP3.81
TPSA122.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.72
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide?
The IUPAC name of 2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide (CID 178144450) is 2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide.
What is the SMILES notation for 2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide?
The canonical SMILES for 2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide is COC1(C(=O)N2CCN(c3c(F)c(S(=O)(=O)NC4(CF)CC4)cn4c(-c5nnc(C(F)F)s5)c(C5CCC5)nc34)CC2)CC1.
What is the InChIKey of 2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide?
The InChIKey is YDEZTBNTULSKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F4N7O4S2/c1-42-27(7-8-27)25(39)37-11-9-36(10-12-37)19-17(29)16(44(40,41)35-26(14-28)5-6-26)13-38-20(23-33-34-24(43-23)21(30)31)18(32-22(19)38)15-3-2-4-15/h13,15,21,35H,2-12,14H2,1H3.
What are the key properties of 2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide?
2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide has a molecular weight of 657.72 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-fluoro-N-[1-(fluoromethyl)cyclopropyl]-8-[4-(1-methoxycyclopropanecarbonyl)piperazin-1-yl]imidazo[1,2-a]pyridine-6-sulfonamide is sourced from PubChem (CID 178144450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).