6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C21H23FN2O2 — CID 42537570

IUPAC6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(OCc2ccccc2F)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C21H23FN2O2/c1-13(2)19-17-12-26-21(3,4)9-15(17)16(10-23)20(24-19)25-11-14-7-5-6-8-18(14)22/h5-8,13H,9,11-12H2,1-4H3
InChIKeyANOAFWNVATWYCI-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.65
Rot. Bonds4

About 6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 42537570) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID42537570
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(OCc2ccccc2F)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C21H23FN2O2/c1-13(2)19-17-12-26-21(3,4)9-15(17)16(10-23)20(24-19)25-11-14-7-5-6-8-18(14)22/h5-8,13H,9,11-12H2,1-4H3
InChIKeyANOAFWNVATWYCI-UHFFFAOYSA-N
XLogP4.65
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile with MolForge

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Related Compounds

8-cyclopropyl-6-[4-[2-(2-fluorophenyl)acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 129169228
2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile
CID 63937147
3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
CID 80510980
N-[4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioyl]benzamide
CID 3516870
2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide
CID 71708639
5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile
CID 23938150
3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 90282991
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
6-[(2-fluorophenyl)methoxy]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989838
2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]acetohydrazide
CID 134691500
5-amino-1-[(2-fluorophenyl)methyl]-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile
CID 100764815
5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine
CID 80876188

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 42537570) is 6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)c1nc(OCc2ccccc2F)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is ANOAFWNVATWYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-13(2)19-17-12-26-21(3,4)9-15(17)16(10-23)20(24-19)25-11-14-7-5-6-8-18(14)22/h5-8,13H,9,11-12H2,1-4H3.
What are the key properties of 6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 354.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 42537570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).