4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

C19H22F3N7O — CID 157044853

IUPAC4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3CCOC(c4cnn(C)c4)C3)nc(CCC(F)(F)F)c2nc1C
InChIInChI=1S/C19H22F3N7O/c1-11-12(2)25-17-16(24-11)14(4-5-19(20,21)22)26-18(27-17)29-6-7-30-15(10-29)13-8-23-28(3)9-13/h8-9,15H,4-7,10H2,1-3H3
InChIKeyLUTYEVWYRFNZHT-UHFFFAOYSA-N
MW421.43 g/mol
LogP2.84
Rot. Bonds4

About 4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine

4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 157044853) has the molecular formula C19H22F3N7O and a molecular weight of 421.43 g/mol. Its IUPAC name is 4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID157044853
Molecular FormulaC19H22F3N7O
Molecular Weight421.43 g/mol
Exact Mass421.18
IUPAC Name4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
SMILESCc1nc2nc(N3CCOC(c4cnn(C)c4)C3)nc(CCC(F)(F)F)c2nc1C
InChIInChI=1S/C19H22F3N7O/c1-11-12(2)25-17-16(24-11)14(4-5-19(20,21)22)26-18(27-17)29-6-7-30-15(10-29)13-8-23-28(3)9-13/h8-9,15H,4-7,10H2,1-3H3
InChIKeyLUTYEVWYRFNZHT-UHFFFAOYSA-N
XLogP2.84
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045404
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
4-[4-(3,3-difluorocyclobutyl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044597
(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
(2S)-4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045160
4-(6,7-dimethylpteridin-2-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 157045930
4-(8-chloro-2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 174185347
(2S)-4-[4-(4,4-dimethylcyclohexen-1-yl)-6,7-dimethylpteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157045364
2-(1-methylpyrazol-4-yl)-4-[7-methyl-4-[3-(trifluoromethyl)but-3-enyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine
CID 167283937
(2R)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)but-3-enyl]pteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 167284147
2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine
CID 133404065

Frequently Asked Questions

What is the IUPAC name of 4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine (CID 157044853) is 4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is Cc1nc2nc(N3CCOC(c4cnn(C)c4)C3)nc(CCC(F)(F)F)c2nc1C.
What is the InChIKey of 4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is LUTYEVWYRFNZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O/c1-11-12(2)25-17-16(24-11)14(4-5-19(20,21)22)26-18(27-17)29-6-7-30-15(10-29)13-8-23-28(3)9-13/h8-9,15H,4-7,10H2,1-3H3.
What are the key properties of 4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine?
4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 421.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,7-dimethyl-4-(3,3,3-trifluoropropyl)pteridin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 157044853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).