(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine

C22H24F3N7O — CID 157044389

IUPAC(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
SMILESCc1cc([C@@H]2CN(c3nc(C4CC(C(F)(F)F)C4)c4nc(C)c(C)nc4n3)CCO2)cnn1
InChIInChI=1S/C22H24F3N7O/c1-11-6-15(9-26-31-11)17-10-32(4-5-33-17)21-29-18(14-7-16(8-14)22(23,24)25)19-20(30-21)28-13(3)12(2)27-19/h6,9,14,16-17H,4-5,7-8,10H2,1-3H3/t14?,16?,17-/m0/s1
InChIKeyQAHPHGHYRGEZSF-PREGVCBESA-N
MW459.48 g/mol
LogP3.77
Rot. Bonds3

About (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine

(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine (PubChem CID 157044389) has the molecular formula C22H24F3N7O and a molecular weight of 459.48 g/mol. Its IUPAC name is (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
PubChem CID157044389
Molecular FormulaC22H24F3N7O
Molecular Weight459.48 g/mol
Exact Mass459.20
IUPAC Name(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine
SMILESCc1cc([C@@H]2CN(c3nc(C4CC(C(F)(F)F)C4)c4nc(C)c(C)nc4n3)CCO2)cnn1
InChIInChI=1S/C22H24F3N7O/c1-11-6-15(9-26-31-11)17-10-32(4-5-33-17)21-29-18(14-7-16(8-14)22(23,24)25)19-20(30-21)28-13(3)12(2)27-19/h6,9,14,16-17H,4-5,7-8,10H2,1-3H3/t14?,16?,17-/m0/s1
InChIKeyQAHPHGHYRGEZSF-PREGVCBESA-N
XLogP3.77
TPSA89.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
The IUPAC name of (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine (CID 157044389) is (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine.
What is the SMILES notation for (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
The canonical SMILES for (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine is Cc1cc([C@@H]2CN(c3nc(C4CC(C(F)(F)F)C4)c4nc(C)c(C)nc4n3)CCO2)cnn1.
What is the InChIKey of (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
The InChIKey is QAHPHGHYRGEZSF-PREGVCBESA-N. The full InChI is InChI=1S/C22H24F3N7O/c1-11-6-15(9-26-31-11)17-10-32(4-5-33-17)21-29-18(14-7-16(8-14)22(23,24)25)19-20(30-21)28-13(3)12(2)27-19/h6,9,14,16-17H,4-5,7-8,10H2,1-3H3/t14?,16?,17-/m0/s1.
What are the key properties of (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine?
(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine has a molecular weight of 459.48 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-(6-methylpyridazin-4-yl)morpholine is sourced from PubChem (CID 157044389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).