4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

C20H23F2N7O — CID 157044597

IUPAC4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3CCOC(c4cnn(C)c4)C3)nc(C3CC(F)(F)C3)c2nc1C
InChIInChI=1S/C20H23F2N7O/c1-11-12(2)25-18-17(24-11)16(13-6-20(21,22)7-13)26-19(27-18)29-4-5-30-15(10-29)14-8-23-28(3)9-14/h8-9,13,15H,4-7,10H2,1-3H3
InChIKeyQWYZLNCRHHPIKJ-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.86
Rot. Bonds3

About 4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 157044597) has the molecular formula C20H23F2N7O and a molecular weight of 415.45 g/mol. Its IUPAC name is 4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID157044597
Molecular FormulaC20H23F2N7O
Molecular Weight415.45 g/mol
Exact Mass415.19
IUPAC Name4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3CCOC(c4cnn(C)c4)C3)nc(C3CC(F)(F)C3)c2nc1C
InChIInChI=1S/C20H23F2N7O/c1-11-12(2)25-18-17(24-11)16(13-6-20(21,22)7-13)26-19(27-18)29-4-5-30-15(10-29)14-8-23-28(3)9-14/h8-9,13,15H,4-7,10H2,1-3H3
InChIKeyQWYZLNCRHHPIKJ-UHFFFAOYSA-N
XLogP2.86
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
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
(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine
CID 157045644
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
8-(2,2-difluorospiro[3.3]heptan-6-yl)-2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one
CID 170711550
4-(4-cyclobutyl-7-methylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045970
(2R)-4-[4-[(3R)-3-fluoropiperidin-1-yl]-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045280
(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045160
(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[3-(difluoromethyl)cyclobutyl]-6,7-dimethylpteridin-2-yl]morpholine
CID 157045360
4-(6,7-dimethylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045930
(2S)-4-[4-(4,4-difluorocyclohexyl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044784

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (CID 157044597) is 4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is Cc1nc2nc(N3CCOC(c4cnn(C)c4)C3)nc(C3CC(F)(F)C3)c2nc1C.
What is the InChIKey of 4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is QWYZLNCRHHPIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O/c1-11-12(2)25-18-17(24-11)16(13-6-20(21,22)7-13)26-19(27-18)29-4-5-30-15(10-29)14-8-23-28(3)9-14/h8-9,13,15H,4-7,10H2,1-3H3.
What are the key properties of 4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 415.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 157044597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).