(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine

C23H26F3N7O — CID 157044387

IUPAC(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
SMILESCc1nc2nc(N3CCO[C@H](c4cnn(C5CC5)c4)C3)nc(C3CC(C(F)(F)F)C3)c2nc1C
InChIInChI=1S/C23H26F3N7O/c1-12-13(2)29-21-20(28-12)19(14-7-16(8-14)23(24,25)26)30-22(31-21)32-5-6-34-18(11-32)15-9-27-33(10-15)17-3-4-17/h9-10,14,16-18H,3-8,11H2,1-2H3/t14?,16?,18-/m0/s1
InChIKeyLKYIZJLAPVXLTD-PVARCSIZSA-N
MW473.50 g/mol
LogP4.20
Rot. Bonds4

About (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine

(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine (PubChem CID 157044387) has the molecular formula C23H26F3N7O and a molecular weight of 473.50 g/mol. Its IUPAC name is (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
PubChem CID157044387
Molecular FormulaC23H26F3N7O
Molecular Weight473.50 g/mol
Exact Mass473.22
IUPAC Name(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
SMILESCc1nc2nc(N3CCO[C@H](c4cnn(C5CC5)c4)C3)nc(C3CC(C(F)(F)F)C3)c2nc1C
InChIInChI=1S/C23H26F3N7O/c1-12-13(2)29-21-20(28-12)19(14-7-16(8-14)23(24,25)26)30-22(31-21)32-5-6-34-18(11-32)15-9-27-33(10-15)17-3-4-17/h9-10,14,16-18H,3-8,11H2,1-2H3/t14?,16?,18-/m0/s1
InChIKeyLKYIZJLAPVXLTD-PVARCSIZSA-N
XLogP4.20
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine?
The IUPAC name of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine (CID 157044387) is (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine.
What is the SMILES notation for (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine?
The canonical SMILES for (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine is Cc1nc2nc(N3CCO[C@H](c4cnn(C5CC5)c4)C3)nc(C3CC(C(F)(F)F)C3)c2nc1C.
What is the InChIKey of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine?
The InChIKey is LKYIZJLAPVXLTD-PVARCSIZSA-N. The full InChI is InChI=1S/C23H26F3N7O/c1-12-13(2)29-21-20(28-12)19(14-7-16(8-14)23(24,25)26)30-22(31-21)32-5-6-34-18(11-32)15-9-27-33(10-15)17-3-4-17/h9-10,14,16-18H,3-8,11H2,1-2H3/t14?,16?,18-/m0/s1.
What are the key properties of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine?
(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine has a molecular weight of 473.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine is sourced from PubChem (CID 157044387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).