2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine

C21H23F3N6O — CID 167283937

IUPAC2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESC=C(CCc1nc(N2CCOC(c3cnn(C)c3)C2)nc2nc(C)ccc12)C(F)(F)F
InChIInChI=1S/C21H23F3N6O/c1-13(21(22,23)24)4-7-17-16-6-5-14(2)26-19(16)28-20(27-17)30-8-9-31-18(12-30)15-10-25-29(3)11-15/h5-6,10-11,18H,1,4,7-9,12H2,2-3H3
InChIKeyPIZGJSYZEJNANB-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.70
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine

2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 167283937) has the molecular formula C21H23F3N6O and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID167283937
Molecular FormulaC21H23F3N6O
Molecular Weight432.45 g/mol
Exact Mass432.19
IUPAC Name2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESC=C(CCc1nc(N2CCOC(c3cnn(C)c3)C2)nc2nc(C)ccc12)C(F)(F)F
InChIInChI=1S/C21H23F3N6O/c1-13(21(22,23)24)4-7-17-16-6-5-14(2)26-19(16)28-20(27-17)30-8-9-31-18(12-30)15-10-25-29(3)11-15/h5-6,10-11,18H,1,4,7-9,12H2,2-3H3
InChIKeyPIZGJSYZEJNANB-UHFFFAOYSA-N
XLogP3.70
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(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
(2S)-4-[4-(4,4-difluorocyclohexyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044784
4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044853
(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)but-3-enyl]pteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 167284147
(2S)-4-(4-chloro-7-methyl-1,8-naphthyridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045202
(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045404
(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045160
2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine
CID 133404065
4-(4-cyclobutyl-7-methylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045970
4-(6,7-dimethylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045930
(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
(2R)-4-[4-[(3R)-3-fluoropiperidin-1-yl]-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045280

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine (CID 167283937) is 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine is C=C(CCc1nc(N2CCOC(c3cnn(C)c3)C2)nc2nc(C)ccc12)C(F)(F)F.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is PIZGJSYZEJNANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-13(21(22,23)24)4-7-17-16-6-5-14(2)26-19(16)28-20(27-17)30-8-9-31-18(12-30)15-10-25-29(3)11-15/h5-6,10-11,18H,1,4,7-9,12H2,2-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine?
2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 432.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 167283937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).