(4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

C17H15F2NO5 — CID 97265482

IUPAC(4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1OC(F)F
InChIInChI=1S/C17H15F2NO5/c1-8-5-13-15(16(22)20-8)10(7-14(21)24-13)9-3-4-11(25-17(18)19)12(6-9)23-2/h3-6,10,17H,7H2,1-2H3,(H,20,22)/t10-/m0/s1
InChIKeyFHBUVCHUHCTOOH-JTQLQIEISA-N
MW351.31 g/mol
LogP2.73
Rot. Bonds4

About (4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

(4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 97265482) has the molecular formula C17H15F2NO5 and a molecular weight of 351.31 g/mol. Its IUPAC name is (4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID97265482
Molecular FormulaC17H15F2NO5
Molecular Weight351.31 g/mol
Exact Mass351.09
IUPAC Name(4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1OC(F)F
InChIInChI=1S/C17H15F2NO5/c1-8-5-13-15(16(22)20-8)10(7-14(21)24-13)9-3-4-11(25-17(18)19)12(6-9)23-2/h3-6,10,17H,7H2,1-2H3,(H,20,22)/t10-/m0/s1
InChIKeyFHBUVCHUHCTOOH-JTQLQIEISA-N
XLogP2.73
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71754880
(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
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-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97264954
(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
(4R)-4-(2,4-difluorophenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 97266734
(4S)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 121484594
7-methyl-4-[3-(pyridin-3-ylmethoxy)phenyl]-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71703768

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 97265482) is (4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is COc1cc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)ccc1OC(F)F.
What is the InChIKey of (4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is FHBUVCHUHCTOOH-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15F2NO5/c1-8-5-13-15(16(22)20-8)10(7-14(21)24-13)9-3-4-11(25-17(18)19)12(6-9)23-2/h3-6,10,17H,7H2,1-2H3,(H,20,22)/t10-/m0/s1.
What are the key properties of (4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
(4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 351.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(difluoromethoxy)-3-methoxyphenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 97265482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).