(2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine

C23H29N7O — CID 166121712

IUPAC(2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
SMILESCc1nc2nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)nc(C3CCC3)c2nc1C
InChIInChI=1S/C23H29N7O/c1-13-10-29(12-19(31-13)17-9-24-30(11-17)18-7-8-18)23-27-20(16-5-4-6-16)21-22(28-23)26-15(3)14(2)25-21/h9,11,13,16,18-19H,4-8,10,12H2,1-3H3/t13-,19+/m1/s1
InChIKeyFVFBMKWXRXDQCN-YJYMSZOUSA-N
MW419.53 g/mol
LogP3.80
Rot. Bonds4

About (2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine

(2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine (PubChem CID 166121712) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is (2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
PubChem CID166121712
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name(2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
SMILESCc1nc2nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)nc(C3CCC3)c2nc1C
InChIInChI=1S/C23H29N7O/c1-13-10-29(12-19(31-13)17-9-24-30(11-17)18-7-8-18)23-27-20(16-5-4-6-16)21-22(28-23)26-15(3)14(2)25-21/h9,11,13,16,18-19H,4-8,10,12H2,1-3H3/t13-,19+/m1/s1
InChIKeyFVFBMKWXRXDQCN-YJYMSZOUSA-N
XLogP3.80
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-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

(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-6-methylmorpholine
CID 166121638
4-cyclopentyl-2-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 177137209
(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine
CID 166121862
(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044918
(2R,6R)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157045344
(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine
CID 157045644
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]-6-methylmorpholine
CID 166122547
(2S,6R)-4-[6-(2-cyclopropylethynyl)-2,3-dimethylpyrido[2,3-b]pyrazin-8-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 166121672
(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[3-(difluoromethyl)cyclobutyl]-6,7-dimethylpteridin-2-yl]morpholine
CID 157045360
2-(1-cyclopropylpyrazol-4-yl)-4-(6,7-dimethyl-4-phenylpyrido[2,3-d]pyrimidin-2-yl)-6-methylmorpholine
CID 177137303
2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(1,1,4-trifluoro-2,3-dihydroinden-5-yl)pteridin-2-yl]-6-methylmorpholine
CID 166121392
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6,7-bis(trideuteriomethyl)pteridin-2-yl]-6-methylmorpholine
CID 166121864

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine?
The IUPAC name of (2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine (CID 166121712) is (2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine.
What is the SMILES notation for (2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine?
The canonical SMILES for (2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine is Cc1nc2nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)nc(C3CCC3)c2nc1C.
What is the InChIKey of (2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine?
The InChIKey is FVFBMKWXRXDQCN-YJYMSZOUSA-N. The full InChI is InChI=1S/C23H29N7O/c1-13-10-29(12-19(31-13)17-9-24-30(11-17)18-7-8-18)23-27-20(16-5-4-6-16)21-22(28-23)26-15(3)14(2)25-21/h9,11,13,16,18-19H,4-8,10,12H2,1-3H3/t13-,19+/m1/s1.
What are the key properties of (2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine?
(2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine has a molecular weight of 419.53 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine is sourced from PubChem (CID 166121712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).