4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one

C24H25F3N6O2 — CID 166121802

IUPAC4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one
SMILESCc1nc2nc(N3CCO[C@@H](c4cc[nH]c(=O)c4)C3)nc(C34CC(C3)C(C(F)(F)F)C4)c2nc1C
InChIInChI=1S/C24H25F3N6O2/c1-12-13(2)30-21-19(29-12)20(23-8-15(9-23)16(10-23)24(25,26)27)31-22(32-21)33-5-6-35-17(11-33)14-3-4-28-18(34)7-14/h3-4,7,15-17H,5-6,8-11H2,1-2H3,(H,28,34)/t15?,16?,17-,23?/m1/s1
InChIKeyLKFLRTDFNTXURQ-PAKJTXTJSA-N
MW486.50 g/mol
LogP3.53
Rot. Bonds3

About 4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one

4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one (PubChem CID 166121802) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is 4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one
PubChem CID166121802
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one
SMILESCc1nc2nc(N3CCO[C@@H](c4cc[nH]c(=O)c4)C3)nc(C34CC(C3)C(C(F)(F)F)C4)c2nc1C
InChIInChI=1S/C24H25F3N6O2/c1-12-13(2)30-21-19(29-12)20(23-8-15(9-23)16(10-23)24(25,26)27)31-22(32-21)33-5-6-35-17(11-33)14-3-4-28-18(34)7-14/h3-4,7,15-17H,5-6,8-11H2,1-2H3,(H,28,34)/t15?,16?,17-,23?/m1/s1
InChIKeyLKFLRTDFNTXURQ-PAKJTXTJSA-N
XLogP3.53
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one (CID 166121802) is 4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one is Cc1nc2nc(N3CCO[C@@H](c4cc[nH]c(=O)c4)C3)nc(C34CC(C3)C(C(F)(F)F)C4)c2nc1C.
What is the InChIKey of 4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one?
The InChIKey is LKFLRTDFNTXURQ-PAKJTXTJSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-12-13(2)30-21-19(29-12)20(23-8-15(9-23)16(10-23)24(25,26)27)31-22(32-21)33-5-6-35-17(11-33)14-3-4-28-18(34)7-14/h3-4,7,15-17H,5-6,8-11H2,1-2H3,(H,28,34)/t15?,16?,17-,23?/m1/s1.
What are the key properties of 4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one?
4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one has a molecular weight of 486.50 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 166121802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).