4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform

C24H31F3N6O — CID 157045478

IUPAC4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform
SMILESCc1nc2cc(N3CCOCC3)nc(C3CCC3)c2nc1C.FC(F)F.c1cnn(C2CC2)c1
InChIInChI=1S/C17H22N4O.C6H8N2.CHF3/c1-11-12(2)19-17-14(18-11)10-15(21-6-8-22-9-7-21)20-16(17)13-4-3-5-13;1-4-7-8(5-1)6-2-3-6;2-1(3)4/h10,13H,3-9H2,1-2H3;1,4-6H,2-3H2;1H
InChIKeyCAJXWXDKQHGOIZ-UHFFFAOYSA-N
MW476.55 g/mol
LogP5.14
Rot. Bonds3

About 4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform

4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform (PubChem CID 157045478) has the molecular formula C24H31F3N6O and a molecular weight of 476.55 g/mol. Its IUPAC name is 4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform.

Molecular Properties

Compound Name4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform
PubChem CID157045478
Molecular FormulaC24H31F3N6O
Molecular Weight476.55 g/mol
Exact Mass476.25
IUPAC Name4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform
SMILESCc1nc2cc(N3CCOCC3)nc(C3CCC3)c2nc1C.FC(F)F.c1cnn(C2CC2)c1
InChIInChI=1S/C17H22N4O.C6H8N2.CHF3/c1-11-12(2)19-17-14(18-11)10-15(21-6-8-22-9-7-21)20-16(17)13-4-3-5-13;1-4-7-8(5-1)6-2-3-6;2-1(3)4/h10,13H,3-9H2,1-2H3;1,4-6H,2-3H2;1H
InChIKeyCAJXWXDKQHGOIZ-UHFFFAOYSA-N
XLogP5.14
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.55
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform with MolForge

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Related Compounds

4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157044934
1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane
CID 157045875
1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 157045314
1-cyclopropylpyrazole;4-(3,4-difluorocyclopentyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166121190
1-cyclopropylpyrazole;6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridine;oxane
CID 166122541
1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine
CID 166121741
1-cyclopropylpyrazole;(2R)-2-methyl-4-[2-methyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 166121536
1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine
CID 165112977
4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline
CID 126946631
2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
CID 133275794
4-(2-cyclopropyl-3-methylimidazo[1,2-b]pyridazin-8-yl)morpholine
CID 130392161

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform?
The IUPAC name of 4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform (CID 157045478) is 4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform.
What is the SMILES notation for 4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform?
The canonical SMILES for 4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform is Cc1nc2cc(N3CCOCC3)nc(C3CCC3)c2nc1C.FC(F)F.c1cnn(C2CC2)c1.
What is the InChIKey of 4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform?
The InChIKey is CAJXWXDKQHGOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.C6H8N2.CHF3/c1-11-12(2)19-17-14(18-11)10-15(21-6-8-22-9-7-21)20-16(17)13-4-3-5-13;1-4-7-8(5-1)6-2-3-6;2-1(3)4/h10,13H,3-9H2,1-2H3;1,4-6H,2-3H2;1H.
What are the key properties of 4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform?
4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform has a molecular weight of 476.55 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform is sourced from PubChem (CID 157045478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).