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

C21H20F3N5O3S — CID 170356796

IUPAC(6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methyl-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)cnc3C)c1F)C2
InChIInChI=1S/C21H20F3N5O3S/c1-11-17(7-13(22)8-26-11)33(31,32)28-15-5-4-14(23)18(19(15)24)12-3-6-16-20(21(30)25-2)27-10-29(16)9-12/h4-5,7-8,10,12,28H,3,6,9H2,1-2H3,(H,25,30)/t12-/m0/s1
InChIKeyUCMFKPVOHUTODH-LBPRGKRZSA-N
MW479.48 g/mol
LogP2.89
Rot. Bonds5

About (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methyl-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-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 170356796) has the molecular formula C21H20F3N5O3S and a molecular weight of 479.48 g/mol. Its IUPAC name is (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methyl-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-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID170356796
Molecular FormulaC21H20F3N5O3S
Molecular Weight479.48 g/mol
Exact Mass479.12
IUPAC Name(6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methyl-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)cnc3C)c1F)C2
InChIInChI=1S/C21H20F3N5O3S/c1-11-17(7-13(22)8-26-11)33(31,32)28-15-5-4-14(23)18(19(15)24)12-3-6-16-20(21(30)25-2)27-10-29(16)9-12/h4-5,7-8,10,12,28H,3,6,9H2,1-2H3,(H,25,30)/t12-/m0/s1
InChIKeyUCMFKPVOHUTODH-LBPRGKRZSA-N
XLogP2.89
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methyl-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-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 170356796) is (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methyl-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-methyl-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-methyl-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)cnc3C)c1F)C2.
What is the InChIKey of (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is UCMFKPVOHUTODH-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H20F3N5O3S/c1-11-17(7-13(22)8-26-11)33(31,32)28-15-5-4-14(23)18(19(15)24)12-3-6-16-20(21(30)25-2)27-10-29(16)9-12/h4-5,7-8,10,12,28H,3,6,9H2,1-2H3,(H,25,30)/t12-/m0/s1.
What are the key properties of (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methyl-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-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 479.48 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 170356796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).