(2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine

C23H25F3N6O — CID 166834560

IUPAC(2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1ccc2c([C@@H]3CC4(C(F)(F)F)CC3C4)nc(N3CCO[C@@H](c4cnn(C)c4)C3)nc2n1
InChIInChI=1S/C23H25F3N6O/c1-13-3-4-16-19(17-9-22(23(24,25)26)7-14(17)8-22)29-21(30-20(16)28-13)32-5-6-33-18(12-32)15-10-27-31(2)11-15/h3-4,10-11,14,17-18H,5-9,12H2,1-2H3/t14?,17-,18-,22?/m1/s1
InChIKeyALOKKPPBMJIWIZ-PJFASASHSA-N
MW458.49 g/mol
LogP4.09
Rot. Bonds3

About (2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine

(2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 166834560) has the molecular formula C23H25F3N6O and a molecular weight of 458.49 g/mol. Its IUPAC name is (2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name(2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID166834560
Molecular FormulaC23H25F3N6O
Molecular Weight458.49 g/mol
Exact Mass458.20
IUPAC Name(2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1ccc2c([C@@H]3CC4(C(F)(F)F)CC3C4)nc(N3CCO[C@@H](c4cnn(C)c4)C3)nc2n1
InChIInChI=1S/C23H25F3N6O/c1-13-3-4-16-19(17-9-22(23(24,25)26)7-14(17)8-22)29-21(30-20(16)28-13)32-5-6-33-18(12-32)15-10-27-31(2)11-15/h3-4,10-11,14,17-18H,5-9,12H2,1-2H3/t14?,17-,18-,22?/m1/s1
InChIKeyALOKKPPBMJIWIZ-PJFASASHSA-N
XLogP4.09
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-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

Related Compounds

(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
(2S)-4-[4-(4,4-difluorocyclohexyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044784
2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 167283937
(2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045202
4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044597
4-(4-cyclobutyl-7-methylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045970
(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045160
4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044853
(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045404
2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 157044830
2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine
CID 133404065
4-[4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045234

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of (2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine (CID 166834560) is (2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for (2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for (2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine is Cc1ccc2c([C@@H]3CC4(C(F)(F)F)CC3C4)nc(N3CCO[C@@H](c4cnn(C)c4)C3)nc2n1.
What is the InChIKey of (2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is ALOKKPPBMJIWIZ-PJFASASHSA-N. The full InChI is InChI=1S/C23H25F3N6O/c1-13-3-4-16-19(17-9-22(23(24,25)26)7-14(17)8-22)29-21(30-20(16)28-13)32-5-6-33-18(12-32)15-10-27-31(2)11-15/h3-4,10-11,14,17-18H,5-9,12H2,1-2H3/t14?,17-,18-,22?/m1/s1.
What are the key properties of (2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine?
(2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 458.49 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[(2R)-4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 166834560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).