2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone

C23H24N4O4S — CID 158858114

IUPAC2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone
SMILESCC1(C)C(N)=N[C@@]2(CCOc3ccc(CC(=O)c4cc5ccccn5n4)cc32)CS1(=O)=O
InChIInChI=1S/C23H24N4O4S/c1-22(2)21(24)25-23(14-32(22,29)30)8-10-31-20-7-6-15(11-17(20)23)12-19(28)18-13-16-5-3-4-9-27(16)26-18/h3-7,9,11,13H,8,10,12,14H2,1-2H3,(H2,24,25)/t23-/m0/s1
InChIKeyYRIZCXZIVPQFOA-QHCPKHFHSA-N
MW452.54 g/mol
LogP2.30
Rot. Bonds3

About 2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone

2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone (PubChem CID 158858114) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone
PubChem CID158858114
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone
SMILESCC1(C)C(N)=N[C@@]2(CCOc3ccc(CC(=O)c4cc5ccccn5n4)cc32)CS1(=O)=O
InChIInChI=1S/C23H24N4O4S/c1-22(2)21(24)25-23(14-32(22,29)30)8-10-31-20-7-6-15(11-17(20)23)12-19(28)18-13-16-5-3-4-9-27(16)26-18/h3-7,9,11,13H,8,10,12,14H2,1-2H3,(H2,24,25)/t23-/m0/s1
InChIKeyYRIZCXZIVPQFOA-QHCPKHFHSA-N
XLogP2.30
TPSA116.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone?
The IUPAC name of 2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone (CID 158858114) is 2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone.
What is the SMILES notation for 2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone?
The canonical SMILES for 2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone is CC1(C)C(N)=N[C@@]2(CCOc3ccc(CC(=O)c4cc5ccccn5n4)cc32)CS1(=O)=O.
What is the InChIKey of 2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone?
The InChIKey is YRIZCXZIVPQFOA-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-22(2)21(24)25-23(14-32(22,29)30)8-10-31-20-7-6-15(11-17(20)23)12-19(28)18-13-16-5-3-4-9-27(16)26-18/h3-7,9,11,13H,8,10,12,14H2,1-2H3,(H2,24,25)/t23-/m0/s1.
What are the key properties of 2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone?
2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone has a molecular weight of 452.54 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl]-1-pyrazolo[1,5-a]pyridin-2-ylethanone is sourced from PubChem (CID 158858114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).