(4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

C18H17N3O4 — CID 97264954

IUPAC(4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)O2
InChIInChI=1S/C18H17N3O4/c1-9-6-14-16(17(23)19-9)11(8-15(22)25-14)10-4-5-12-13(7-10)21(3)18(24)20(12)2/h4-7,11H,8H2,1-3H3,(H,19,23)/t11-/m0/s1
InChIKeyJLMRADASMTXKLS-NSHDSACASA-N
MW339.35 g/mol
LogP1.31
Rot. Bonds1

About (4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

(4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 97264954) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is (4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID97264954
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name(4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)O2
InChIInChI=1S/C18H17N3O4/c1-9-6-14-16(17(23)19-9)11(8-15(22)25-14)10-4-5-12-13(7-10)21(3)18(24)20(12)2/h4-7,11H,8H2,1-3H3,(H,19,23)/t11-/m0/s1
InChIKeyJLMRADASMTXKLS-NSHDSACASA-N
XLogP1.31
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71754880
4-(4-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71755298
(4S)-4-(3-chloro-4-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97045790
(4S)-4-(3-chlorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97266190
(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 99992771
(4S)-7-methyl-4-(1-methyl-2-oxoquinolin-3-yl)-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97045869
(4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97265482
4-(7-chloro-1,3-benzodioxol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71703159
(4R)-4-[3-(difluoromethoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97263524
2-[2-methoxy-4-[(4S)-7-methyl-2,5-dioxo-4,6-dihydro-3H-pyrano[3,2-c]pyridin-4-yl]phenoxy]acetic acid
CID 97046144
4-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71754610
(4R)-4-(2,4-difluorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97266734

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 97264954) is (4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc3c(c1)n(C)c(=O)n3C)CC(=O)O2.
What is the InChIKey of (4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is JLMRADASMTXKLS-NSHDSACASA-N. The full InChI is InChI=1S/C18H17N3O4/c1-9-6-14-16(17(23)19-9)11(8-15(22)25-14)10-4-5-12-13(7-10)21(3)18(24)20(12)2/h4-7,11H,8H2,1-3H3,(H,19,23)/t11-/m0/s1.
What are the key properties of (4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
(4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 339.35 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 97264954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).