(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine

C24H28F3N7O — CID 166121638

IUPAC(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine
SMILESCc1nc2nc(N3C[C@@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)nc(C3CC(C(F)(F)F)C3)c2nc1C
InChIInChI=1S/C24H28F3N7O/c1-12-9-33(11-19(35-12)16-8-28-34(10-16)18-4-5-18)23-31-20(15-6-17(7-15)24(25,26)27)21-22(32-23)30-14(3)13(2)29-21/h8,10,12,15,17-19H,4-7,9,11H2,1-3H3/t12-,15?,17?,19-/m1/s1
InChIKeyHICFSMANPDQHGG-ZVCZCVSTSA-N
MW487.53 g/mol
LogP4.59
Rot. Bonds4

About (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine

(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine (PubChem CID 166121638) has the molecular formula C24H28F3N7O and a molecular weight of 487.53 g/mol. Its IUPAC name is (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine
PubChem CID166121638
Molecular FormulaC24H28F3N7O
Molecular Weight487.53 g/mol
Exact Mass487.23
IUPAC Name(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine
SMILESCc1nc2nc(N3C[C@@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)nc(C3CC(C(F)(F)F)C3)c2nc1C
InChIInChI=1S/C24H28F3N7O/c1-12-9-33(11-19(35-12)16-8-28-34(10-16)18-4-5-18)23-31-20(15-6-17(7-15)24(25,26)27)21-22(32-23)30-14(3)13(2)29-21/h8,10,12,15,17-19H,4-7,9,11H2,1-3H3/t12-,15?,17?,19-/m1/s1
InChIKeyHICFSMANPDQHGG-ZVCZCVSTSA-N
XLogP4.59
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine 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-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044346
4-[6,7-Dimethyl-4-(2,3,4-trifluorophenyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044352
2-(1-Cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholine
CID 157044354
(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine
CID 157044356
(2R)-4-[4-[3-(difluoromethyl)cyclobutyl]-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044378
2-(1-Cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine
CID 157044384
(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
CID 157044387
4-[4-(2,4-Difluorophenyl)-7-methylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044396
(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]morpholine
CID 157044407
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine
CID 157044414
(2S)-4-[4-[(1S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044435
(2S)-4-[4-(4,4-difluorocyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044445

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine?
The IUPAC name of (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine (CID 166121638) is (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine.
What is the SMILES notation for (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine?
The canonical SMILES for (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine is Cc1nc2nc(N3C[C@@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)nc(C3CC(C(F)(F)F)C3)c2nc1C.
What is the InChIKey of (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine?
The InChIKey is HICFSMANPDQHGG-ZVCZCVSTSA-N. The full InChI is InChI=1S/C24H28F3N7O/c1-12-9-33(11-19(35-12)16-8-28-34(10-16)18-4-5-18)23-31-20(15-6-17(7-15)24(25,26)27)21-22(32-23)30-14(3)13(2)29-21/h8,10,12,15,17-19H,4-7,9,11H2,1-3H3/t12-,15?,17?,19-/m1/s1.
What are the key properties of (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine?
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine has a molecular weight of 487.53 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine is sourced from PubChem (CID 166121638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).