(2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

C23H26F3N7O — CID 166834526

IUPAC(2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3CCO[C@H](c4cnn(C)c4)C3)nc([C@@H]3CC4(C(F)(F)F)CC3C4)c2nc1C
InChIInChI=1S/C23H26F3N7O/c1-12-13(2)29-20-19(28-12)18(16-8-22(23(24,25)26)6-14(16)7-22)30-21(31-20)33-4-5-34-17(11-33)15-9-27-32(3)10-15/h9-10,14,16-17H,4-8,11H2,1-3H3/t14?,16-,17+,22?/m1/s1
InChIKeyITUGOROSWPRZQQ-IIFCYOTJSA-N
MW473.50 g/mol
LogP3.79
Rot. Bonds3

About (2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

(2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 166834526) has the molecular formula C23H26F3N7O and a molecular weight of 473.50 g/mol. Its IUPAC name is (2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID166834526
Molecular FormulaC23H26F3N7O
Molecular Weight473.50 g/mol
Exact Mass473.22
IUPAC Name(2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3CCO[C@H](c4cnn(C)c4)C3)nc([C@@H]3CC4(C(F)(F)F)CC3C4)c2nc1C
InChIInChI=1S/C23H26F3N7O/c1-12-13(2)29-20-19(28-12)18(16-8-22(23(24,25)26)6-14(16)7-22)30-21(31-20)33-4-5-34-17(11-33)15-9-27-32(3)10-15/h9-10,14,16-17H,4-8,11H2,1-3H3/t14?,16-,17+,22?/m1/s1
InChIKeyITUGOROSWPRZQQ-IIFCYOTJSA-N
XLogP3.79
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (CID 166834526) is (2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is Cc1nc2nc(N3CCO[C@H](c4cnn(C)c4)C3)nc([C@@H]3CC4(C(F)(F)F)CC3C4)c2nc1C.
What is the InChIKey of (2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is ITUGOROSWPRZQQ-IIFCYOTJSA-N. The full InChI is InChI=1S/C23H26F3N7O/c1-12-13(2)29-20-19(28-12)18(16-8-22(23(24,25)26)6-14(16)7-22)30-21(31-20)33-4-5-34-17(11-33)15-9-27-32(3)10-15/h9-10,14,16-17H,4-8,11H2,1-3H3/t14?,16-,17+,22?/m1/s1.
What are the key properties of (2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
(2R)-4-[6,7-dimethyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 473.50 g/mol, XLogP of 3.79, 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-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 166834526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).