8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

C21H23F2N5O4S — CID 71479014

IUPAC8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@H]1CCCN(S(N)(=O)=O)C1
InChIInChI=1S/C21H23F2N5O4S/c1-13-19(21(29)26-14-5-3-9-27(11-14)33(24,30)31)28-10-4-8-18(20(28)25-13)32-12-15-16(22)6-2-7-17(15)23/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3,(H,26,29)(H2,24,30,31)/t14-/m0/s1
InChIKeyALMVYHFVQDTSOX-AWEZNQCLSA-N
MW479.51 g/mol
LogP1.90
Rot. Bonds6

About 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71479014) has the molecular formula C21H23F2N5O4S and a molecular weight of 479.51 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71479014
Molecular FormulaC21H23F2N5O4S
Molecular Weight479.51 g/mol
Exact Mass479.14
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@H]1CCCN(S(N)(=O)=O)C1
InChIInChI=1S/C21H23F2N5O4S/c1-13-19(21(29)26-14-5-3-9-27(11-14)33(24,30)31)28-10-4-8-18(20(28)25-13)32-12-15-16(22)6-2-7-17(15)23/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3,(H,26,29)(H2,24,30,31)/t14-/m0/s1
InChIKeyALMVYHFVQDTSOX-AWEZNQCLSA-N
XLogP1.90
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71479014) is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@H]1CCCN(S(N)(=O)=O)C1.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ALMVYHFVQDTSOX-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23F2N5O4S/c1-13-19(21(29)26-14-5-3-9-27(11-14)33(24,30)31)28-10-4-8-18(20(28)25-13)32-12-15-16(22)6-2-7-17(15)23/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3,(H,26,29)(H2,24,30,31)/t14-/m0/s1.
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 479.51 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(3S)-1-sulfamoylpiperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71479014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).