N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide

C27H24ClN5O4S — CID 71542233

IUPACN-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
SMILESCOc1nc(C2=CCOCC2)cc2c1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc1[C@@]21CCN=C(N)S1
InChIInChI=1S/C27H24ClN5O4S/c1-35-25-23-19(13-21(33-25)15-6-10-36-11-7-15)27(8-9-30-26(29)38-27)18-12-17(3-5-22(18)37-23)32-24(34)20-4-2-16(28)14-31-20/h2-6,12-14H,7-11H2,1H3,(H2,29,30)(H,32,34)/t27-/m0/s1
InChIKeyYGFVWLWQMCJGMX-MHZLTWQESA-N
MW550.04 g/mol
LogP5.00
Rot. Bonds4

About N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide

N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide (PubChem CID 71542233) has the molecular formula C27H24ClN5O4S and a molecular weight of 550.04 g/mol. Its IUPAC name is N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
PubChem CID71542233
Molecular FormulaC27H24ClN5O4S
Molecular Weight550.04 g/mol
Exact Mass549.12
IUPAC NameN-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
SMILESCOc1nc(C2=CCOCC2)cc2c1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc1[C@@]21CCN=C(N)S1
InChIInChI=1S/C27H24ClN5O4S/c1-35-25-23-19(13-21(33-25)15-6-10-36-11-7-15)27(8-9-30-26(29)38-27)18-12-17(3-5-22(18)37-23)32-24(34)20-4-2-16(28)14-31-20/h2-6,12-14H,7-11H2,1H3,(H2,29,30)(H,32,34)/t27-/m0/s1
InChIKeyYGFVWLWQMCJGMX-MHZLTWQESA-N
XLogP5.00
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.04
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide with MolForge

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Related Compounds

N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 89461817
N-[(6S)-2-amino-7'-(3,6-dihydro-2H-pyran-4-yl)-5'-fluorospiro[4,5-dihydro-1,3-thiazine-6,9'-xanthene]-2'-yl]-5-methoxypyrazine-2-carboxamide
CID 71542230
N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide
CID 78105036
N-[(6S)-2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyrazine-2-carboxamide
CID 89461906
2-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-1-(5-chloro-2-pyridinyl)ethanone
CID 160554304
N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyridine-2-carboxamide
CID 71542622
N-[(4S)-2-amino-7'-(3,6-dihydro-2H-pyran-4-yl)-5'-fluorospiro[5,6-dihydro-1,3-oxazine-4,9'-xanthene]-2'-yl]-5-methoxypyrazine-2-carboxamide
CID 89462032
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane
CID 143933560
N-[(4S)-2-amino-1'-fluoro-3'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 71543068
(4S)-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluoro-7-N'-(3-methoxy-1,7-naphthyridin-8-yl)spiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2,7'-diamine
CID 74221575
N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-cyanopyridine-2-carboxamide
CID 71542702
N-(2-amino-3'-bromospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl)-5-chloropyridine-2-carboxamide
CID 78104844

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide (CID 71542233) is N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide is COc1nc(C2=CCOCC2)cc2c1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc1[C@@]21CCN=C(N)S1.
What is the InChIKey of N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide?
The InChIKey is YGFVWLWQMCJGMX-MHZLTWQESA-N. The full InChI is InChI=1S/C27H24ClN5O4S/c1-35-25-23-19(13-21(33-25)15-6-10-36-11-7-15)27(8-9-30-26(29)38-27)18-12-17(3-5-22(18)37-23)32-24(34)20-4-2-16(28)14-31-20/h2-6,12-14H,7-11H2,1H3,(H2,29,30)(H,32,34)/t27-/m0/s1.
What are the key properties of N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide?
N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide has a molecular weight of 550.04 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 71542233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).