(6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C21H20F3N5O4S — CID 164594741

IUPAC(6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1ncn2c1CC[C@H](c1c(F)ccc(NS(=O)(=O)c3cc(F)cnc3OC)c1F)C2
InChIInChI=1S/C21H20F3N5O4S/c1-25-20(30)19-15-6-3-11(9-29(15)10-27-19)17-13(23)4-5-14(18(17)24)28-34(31,32)16-7-12(22)8-26-21(16)33-2/h4-5,7-8,10-11,28H,3,6,9H2,1-2H3,(H,25,30)/t11-/m0/s1
InChIKeyCTXYAZOQOMRXDG-NSHDSACASA-N
MW495.48 g/mol
LogP2.59
Rot. Bonds6

About (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

(6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 164594741) has the molecular formula C21H20F3N5O4S and a molecular weight of 495.48 g/mol. Its IUPAC name is (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name(6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID164594741
Molecular FormulaC21H20F3N5O4S
Molecular Weight495.48 g/mol
Exact Mass495.12
IUPAC Name(6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1ncn2c1CC[C@H](c1c(F)ccc(NS(=O)(=O)c3cc(F)cnc3OC)c1F)C2
InChIInChI=1S/C21H20F3N5O4S/c1-25-20(30)19-15-6-3-11(9-29(15)10-27-19)17-13(23)4-5-14(18(17)24)28-34(31,32)16-7-12(22)8-26-21(16)33-2/h4-5,7-8,10-11,28H,3,6,9H2,1-2H3,(H,25,30)/t11-/m0/s1
InChIKeyCTXYAZOQOMRXDG-NSHDSACASA-N
XLogP2.59
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 164594741) is (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CNC(=O)c1ncn2c1CC[C@H](c1c(F)ccc(NS(=O)(=O)c3cc(F)cnc3OC)c1F)C2.
What is the InChIKey of (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is CTXYAZOQOMRXDG-NSHDSACASA-N. The full InChI is InChI=1S/C21H20F3N5O4S/c1-25-20(30)19-15-6-3-11(9-29(15)10-27-19)17-13(23)4-5-14(18(17)24)28-34(31,32)16-7-12(22)8-26-21(16)33-2/h4-5,7-8,10-11,28H,3,6,9H2,1-2H3,(H,25,30)/t11-/m0/s1.
What are the key properties of (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
(6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 495.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 164594741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).