methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

C22H24F2N4O5S — CID 163208477

IUPACmethyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCOCC1Cc1c(-c2c(F)cc(S(=O)(=O)CN)cc2F)nc2cc(C)ccn12
InChIInChI=1S/C22H24F2N4O5S/c1-13-3-4-28-18(8-14-11-33-6-5-27(14)22(29)32-2)21(26-19(28)7-13)20-16(23)9-15(10-17(20)24)34(30,31)12-25/h3-4,7,9-10,14H,5-6,8,11-12,25H2,1-2H3
InChIKeyFSCUMENPYVVKGI-UHFFFAOYSA-N
MW494.52 g/mol
LogP2.29
Rot. Bonds5

About methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (PubChem CID 163208477) has the molecular formula C22H24F2N4O5S and a molecular weight of 494.52 g/mol. Its IUPAC name is methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
PubChem CID163208477
Molecular FormulaC22H24F2N4O5S
Molecular Weight494.52 g/mol
Exact Mass494.14
IUPAC Namemethyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
SMILESCOC(=O)N1CCOCC1Cc1c(-c2c(F)cc(S(=O)(=O)CN)cc2F)nc2cc(C)ccn12
InChIInChI=1S/C22H24F2N4O5S/c1-13-3-4-28-18(8-14-11-33-6-5-27(14)22(29)32-2)21(26-19(28)7-13)20-16(23)9-15(10-17(20)24)34(30,31)12-25/h3-4,7,9-10,14H,5-6,8,11-12,25H2,1-2H3
InChIKeyFSCUMENPYVVKGI-UHFFFAOYSA-N
XLogP2.29
TPSA116.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The IUPAC name of methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate (CID 163208477) is methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate.
What is the SMILES notation for methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The canonical SMILES for methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is COC(=O)N1CCOCC1Cc1c(-c2c(F)cc(S(=O)(=O)CN)cc2F)nc2cc(C)ccn12.
What is the InChIKey of methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
The InChIKey is FSCUMENPYVVKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O5S/c1-13-3-4-28-18(8-14-11-33-6-5-27(14)22(29)32-2)21(26-19(28)7-13)20-16(23)9-15(10-17(20)24)34(30,31)12-25/h3-4,7,9-10,14H,5-6,8,11-12,25H2,1-2H3.
What are the key properties of methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate?
methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate has a molecular weight of 494.52 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[4-(aminomethylsulfonyl)-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 163208477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).