4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole

C20H24F3N7O — CID 157044787

IUPAC4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole
SMILESCc1nc2nc(N3CCOCC3)nc([C@@H]3C[C@@H]3C(F)(F)F)c2nc1C.Cn1cccn1
InChIInChI=1S/C16H18F3N5O.C4H6N2/c1-8-9(2)21-14-13(20-8)12(10-7-11(10)16(17,18)19)22-15(23-14)24-3-5-25-6-4-24;1-6-4-2-3-5-6/h10-11H,3-7H2,1-2H3;2-4H,1H3/t10-,11+;/m1./s1
InChIKeyJEFYHVDICBDQSG-DHXVBOOMSA-N
MW435.45 g/mol
LogP2.96
Rot. Bonds2

About 4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole

4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole (PubChem CID 157044787) has the molecular formula C20H24F3N7O and a molecular weight of 435.45 g/mol. Its IUPAC name is 4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole.

Molecular Properties

Compound Name4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole
PubChem CID157044787
Molecular FormulaC20H24F3N7O
Molecular Weight435.45 g/mol
Exact Mass435.20
IUPAC Name4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole
SMILESCc1nc2nc(N3CCOCC3)nc([C@@H]3C[C@@H]3C(F)(F)F)c2nc1C.Cn1cccn1
InChIInChI=1S/C16H18F3N5O.C4H6N2/c1-8-9(2)21-14-13(20-8)12(10-7-11(10)16(17,18)19)22-15(23-14)24-3-5-25-6-4-24;1-6-4-2-3-5-6/h10-11H,3-7H2,1-2H3;2-4H,1H3/t10-,11+;/m1./s1
InChIKeyJEFYHVDICBDQSG-DHXVBOOMSA-N
XLogP2.96
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole?
The IUPAC name of 4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole (CID 157044787) is 4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole.
What is the SMILES notation for 4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole?
The canonical SMILES for 4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole is Cc1nc2nc(N3CCOCC3)nc([C@@H]3C[C@@H]3C(F)(F)F)c2nc1C.Cn1cccn1.
What is the InChIKey of 4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole?
The InChIKey is JEFYHVDICBDQSG-DHXVBOOMSA-N. The full InChI is InChI=1S/C16H18F3N5O.C4H6N2/c1-8-9(2)21-14-13(20-8)12(10-7-11(10)16(17,18)19)22-15(23-14)24-3-5-25-6-4-24;1-6-4-2-3-5-6/h10-11H,3-7H2,1-2H3;2-4H,1H3/t10-,11+;/m1./s1.
What are the key properties of 4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole?
4-[6,7-dimethyl-4-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole has a molecular weight of 435.45 g/mol, XLogP of 2.96, 2 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-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]pteridin-2-yl]morpholine;1-methylpyrazole is sourced from PubChem (CID 157044787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).