7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one

C20H20FN3O5S — CID 169262607

IUPAC7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one
SMILESCNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(OC4CC4)cc3oc2=O)c1F
InChIInChI=1S/C20H20FN3O5S/c1-11-15-6-5-14(28-13-3-4-13)10-17(15)29-20(25)16(11)9-12-7-8-23-19(18(12)21)24-30(26,27)22-2/h5-8,10,13,22H,3-4,9H2,1-2H3,(H,23,24)
InChIKeyCKRMSVHNZDTLLD-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.64
Rot. Bonds7

About 7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one

7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one (PubChem CID 169262607) has the molecular formula C20H20FN3O5S and a molecular weight of 433.46 g/mol. Its IUPAC name is 7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one
PubChem CID169262607
Molecular FormulaC20H20FN3O5S
Molecular Weight433.46 g/mol
Exact Mass433.11
IUPAC Name7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one
SMILESCNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(OC4CC4)cc3oc2=O)c1F
InChIInChI=1S/C20H20FN3O5S/c1-11-15-6-5-14(28-13-3-4-13)10-17(15)29-20(25)16(11)9-12-7-8-23-19(18(12)21)24-30(26,27)22-2/h5-8,10,13,22H,3-4,9H2,1-2H3,(H,23,24)
InChIKeyCKRMSVHNZDTLLD-UHFFFAOYSA-N
XLogP2.64
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[(3-fluoro-2-pyridinyl)oxy]-3-[[3-fluoro-2-(trideuteriomethylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one
CID 169262614
3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4,6-dimethyl-7-pyrimidin-2-yloxychromen-2-one
CID 24754286
[3-[[2-(ethylsulfonylamino)-3-fluoro-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 165147885
CID 87181285
CID 87181285
3-[[3-fluoro-2-(methylaminosulfanylamino)-4-pyridinyl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one
CID 129259938
3-[3-[[2-(dimethylsulfamoylamino)-3-fluoro-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxypyridazine
CID 178170868
3-[[3-fluoro-2-(methylaminosulfanylamino)-4-pyridinyl]methyl]-7-(5-fluoropyrimidin-2-yl)oxy-4-methylchromen-2-one
CID 143749837
3-[[2-(aziridin-2-yl)-3-fluoro-4-pyridinyl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one
CID 166904519
2-[6-fluoro-3-[[3-fluoro-2-(sulfamoylamino)-4-pyridinyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
CID 87181122
3-[[3-fluoro-2-(methylaminosulfanylamino)-4-pyridinyl]methyl]-7-hydroxy-4-methylchromen-2-one
CID 169262616
[3-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl] N-methylcarbamate
CID 89233752
3-[(2-amino-3-fluoro-4-pyridinyl)methyl]-7-(2,2-difluoropropoxy)-4-methylchromen-2-one
CID 169262578

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one?
The IUPAC name of 7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one (CID 169262607) is 7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one.
What is the SMILES notation for 7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one?
The canonical SMILES for 7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one is CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(OC4CC4)cc3oc2=O)c1F.
What is the InChIKey of 7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one?
The InChIKey is CKRMSVHNZDTLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O5S/c1-11-15-6-5-14(28-13-3-4-13)10-17(15)29-20(25)16(11)9-12-7-8-23-19(18(12)21)24-30(26,27)22-2/h5-8,10,13,22H,3-4,9H2,1-2H3,(H,23,24).
What are the key properties of 7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one?
7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one has a molecular weight of 433.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyloxy-3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methylchromen-2-one is sourced from PubChem (CID 169262607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).