4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform

C23H30F3N7O — CID 157044934

IUPAC4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform
SMILESCc1nc2nc(N3CCOCC3)nc(C3CCC3)c2nc1C.FC(F)F.c1cnn(C2CC2)c1
InChIInChI=1S/C16H21N5O.C6H8N2.CHF3/c1-10-11(2)18-15-14(17-10)13(12-4-3-5-12)19-16(20-15)21-6-8-22-9-7-21;1-4-7-8(5-1)6-2-3-6;2-1(3)4/h12H,3-9H2,1-2H3;1,4-6H,2-3H2;1H
InChIKeyATCQJPHSMRGNSN-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.54
Rot. Bonds3

About 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform

4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform (PubChem CID 157044934) has the molecular formula C23H30F3N7O and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform.

Molecular Properties

Compound Name4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform
PubChem CID157044934
Molecular FormulaC23H30F3N7O
Molecular Weight477.54 g/mol
Exact Mass477.25
IUPAC Name4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform
SMILESCc1nc2nc(N3CCOCC3)nc(C3CCC3)c2nc1C.FC(F)F.c1cnn(C2CC2)c1
InChIInChI=1S/C16H21N5O.C6H8N2.CHF3/c1-10-11(2)18-15-14(17-10)13(12-4-3-5-12)19-16(20-15)21-6-8-22-9-7-21;1-4-7-8(5-1)6-2-3-6;2-1(3)4/h12H,3-9H2,1-2H3;1,4-6H,2-3H2;1H
InChIKeyATCQJPHSMRGNSN-UHFFFAOYSA-N
XLogP4.54
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157045478
1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine
CID 166121741
1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166121190
(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[3-(difluoromethyl)cyclobutyl]-6,7-dimethylpteridin-2-yl]morpholine
CID 157045360
1-cyclopropylpyrazole;6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridine;oxane
CID 166122541
(2R,6R)-4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 166121712
(2S)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridin-2-yl]morpholine
CID 157045644
4-[4-(3-fluoroazetidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine
CID 157045389
4-[6,7-dimethyl-4-[3-(trifluoromethyl)azetidin-1-yl]pteridin-2-yl]morpholine;1-methylpyrazole
CID 157045447
4-(4-cyclobutyl-7-methylpyrido[2,3-d]pyrimidin-2-yl)morpholine
CID 157044442
4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)-2-(2-methyl-4-pyridinyl)morpholine;difluoromethane
CID 157045000
1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 157045314

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform?
The IUPAC name of 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform (CID 157044934) is 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform.
What is the SMILES notation for 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform?
The canonical SMILES for 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform is Cc1nc2nc(N3CCOCC3)nc(C3CCC3)c2nc1C.FC(F)F.c1cnn(C2CC2)c1.
What is the InChIKey of 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform?
The InChIKey is ATCQJPHSMRGNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.C6H8N2.CHF3/c1-10-11(2)18-15-14(17-10)13(12-4-3-5-12)19-16(20-15)21-6-8-22-9-7-21;1-4-7-8(5-1)6-2-3-6;2-1(3)4/h12H,3-9H2,1-2H3;1,4-6H,2-3H2;1H.
What are the key properties of 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform?
4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform has a molecular weight of 477.54 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform is sourced from PubChem (CID 157044934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).