5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine

C25H25FN4O — CID 166093447

IUPAC5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine
SMILESC=C1NCCc2cc(-c3cc(-c4ccc(N5CCOCC5)cc4F)cnc3N)ccc21
InChIInChI=1S/C25H25FN4O/c1-16-21-4-2-17(12-18(21)6-7-28-16)23-13-19(15-29-25(23)27)22-5-3-20(14-24(22)26)30-8-10-31-11-9-30/h2-5,12-15,28H,1,6-11H2,(H2,27,29)
InChIKeyDPZIOGMJHSRSSX-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.09
Rot. Bonds3

About 5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine

5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine (PubChem CID 166093447) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine
PubChem CID166093447
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine
SMILESC=C1NCCc2cc(-c3cc(-c4ccc(N5CCOCC5)cc4F)cnc3N)ccc21
InChIInChI=1S/C25H25FN4O/c1-16-21-4-2-17(12-18(21)6-7-28-16)23-13-19(15-29-25(23)27)22-5-3-20(14-24(22)26)30-8-10-31-11-9-30/h2-5,12-15,28H,1,6-11H2,(H2,27,29)
InChIKeyDPZIOGMJHSRSSX-UHFFFAOYSA-N
XLogP4.09
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine?
The IUPAC name of 5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine (CID 166093447) is 5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine.
What is the SMILES notation for 5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine?
The canonical SMILES for 5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine is C=C1NCCc2cc(-c3cc(-c4ccc(N5CCOCC5)cc4F)cnc3N)ccc21.
What is the InChIKey of 5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine?
The InChIKey is DPZIOGMJHSRSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-16-21-4-2-17(12-18(21)6-7-28-16)23-13-19(15-29-25(23)27)22-5-3-20(14-24(22)26)30-8-10-31-11-9-30/h2-5,12-15,28H,1,6-11H2,(H2,27,29).
What are the key properties of 5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine?
5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine has a molecular weight of 416.50 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-morpholin-4-ylphenyl)-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)pyridin-2-amine is sourced from PubChem (CID 166093447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).