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

C23H28F3N7O — CID 157044469

IUPAC(2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3CCO[C@H](c4cnn(C)c4)C3)nc(C3CCC(C(F)(F)F)CC3)c2nc1C
InChIInChI=1S/C23H28F3N7O/c1-13-14(2)29-21-20(28-13)19(15-4-6-17(7-5-15)23(24,25)26)30-22(31-21)33-8-9-34-18(12-33)16-10-27-32(3)11-16/h10-11,15,17-18H,4-9,12H2,1-3H3/t15?,17?,18-/m0/s1
InChIKeyLKHLQKDQDDBLFI-VJFUWPCTSA-N
MW475.52 g/mol
LogP4.18
Rot. Bonds3

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

(2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 157044469) has the molecular formula C23H28F3N7O and a molecular weight of 475.52 g/mol. Its IUPAC name is (2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID157044469
Molecular FormulaC23H28F3N7O
Molecular Weight475.52 g/mol
Exact Mass475.23
IUPAC Name(2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3CCO[C@H](c4cnn(C)c4)C3)nc(C3CCC(C(F)(F)F)CC3)c2nc1C
InChIInChI=1S/C23H28F3N7O/c1-13-14(2)29-21-20(28-13)19(15-4-6-17(7-5-15)23(24,25)26)30-22(31-21)33-8-9-34-18(12-33)16-10-27-32(3)11-16/h10-11,15,17-18H,4-9,12H2,1-3H3/t15?,17?,18-/m0/s1
InChIKeyLKHLQKDQDDBLFI-VJFUWPCTSA-N
XLogP4.18
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-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)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of (2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (CID 157044469) is (2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for (2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is Cc1nc2nc(N3CCO[C@H](c4cnn(C)c4)C3)nc(C3CCC(C(F)(F)F)CC3)c2nc1C.
What is the InChIKey of (2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is LKHLQKDQDDBLFI-VJFUWPCTSA-N. The full InChI is InChI=1S/C23H28F3N7O/c1-13-14(2)29-21-20(28-13)19(15-4-6-17(7-5-15)23(24,25)26)30-22(31-21)33-8-9-34-18(12-33)16-10-27-32(3)11-16/h10-11,15,17-18H,4-9,12H2,1-3H3/t15?,17?,18-/m0/s1.
What are the key properties of (2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
(2R)-4-[6,7-dimethyl-4-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 475.52 g/mol, XLogP of 4.18, 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-[4-(trifluoromethyl)cyclohexyl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 157044469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).