[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol

C23H20FN3O — CID 67974361

IUPAC[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)n1
InChIInChI=1S/C23H20FN3O/c1-14-3-6-20(24)11-21(14)18-5-4-17-10-22(25-12-19(17)9-18)27-23-8-16(13-28)7-15(2)26-23/h3-12,28H,13H2,1-2H3,(H,25,26,27)
InChIKeySFAMJFCDXZDVKN-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.29
Rot. Bonds4

About [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol

[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol (PubChem CID 67974361) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol
PubChem CID67974361
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol
SMILESCc1cc(CO)cc(Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)n1
InChIInChI=1S/C23H20FN3O/c1-14-3-6-20(24)11-21(14)18-5-4-17-10-22(25-12-19(17)9-18)27-23-8-16(13-28)7-15(2)26-23/h3-12,28H,13H2,1-2H3,(H,25,26,27)
InChIKeySFAMJFCDXZDVKN-UHFFFAOYSA-N
XLogP5.29
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol?
The IUPAC name of [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol (CID 67974361) is [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol.
What is the SMILES notation for [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol?
The canonical SMILES for [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol is Cc1cc(CO)cc(Nc2cc3ccc(-c4cc(F)ccc4C)cc3cn2)n1.
What is the InChIKey of [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol?
The InChIKey is SFAMJFCDXZDVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-14-3-6-20(24)11-21(14)18-5-4-17-10-22(25-12-19(17)9-18)27-23-8-16(13-28)7-15(2)26-23/h3-12,28H,13H2,1-2H3,(H,25,26,27).
What are the key properties of [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol?
[2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol has a molecular weight of 373.43 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]amino]-6-methyl-4-pyridinyl]methanol is sourced from PubChem (CID 67974361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).