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

C24H25F3N6O — CID 166121536

IUPAC1-cyclopropylpyrazole;(2R)-2-methyl-4-[2-methyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine
SMILESCc1cnc2c(C3=C=C(C(F)(F)F)C3)nc(N3CCO[C@H](C)C3)cc2n1.c1cnn(C2CC2)c1
InChIInChI=1S/C18H17F3N4O.C6H8N2/c1-10-8-22-17-14(23-10)7-15(25-3-4-26-11(2)9-25)24-16(17)12-5-13(6-12)18(19,20)21;1-4-7-8(5-1)6-2-3-6/h7-8,11H,3-5,9H2,1-2H3;1,4-6H,2-3H2/t11-;/m1./s1
InChIKeyZBLNTLUNJLTWIT-RFVHGSKJSA-N
MW470.50 g/mol
LogP4.65
Rot. Bonds3

About 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

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 (PubChem CID 166121536) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-cyclopropylpyrazole;(2R)-2-methyl-4-[2-methyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine
PubChem CID166121536
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name1-cyclopropylpyrazole;(2R)-2-methyl-4-[2-methyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine
SMILESCc1cnc2c(C3=C=C(C(F)(F)F)C3)nc(N3CCO[C@H](C)C3)cc2n1.c1cnn(C2CC2)c1
InChIInChI=1S/C18H17F3N4O.C6H8N2/c1-10-8-22-17-14(23-10)7-15(25-3-4-26-11(2)9-25)24-16(17)12-5-13(6-12)18(19,20)21;1-4-7-8(5-1)6-2-3-6/h7-8,11H,3-5,9H2,1-2H3;1,4-6H,2-3H2/t11-;/m1./s1
InChIKeyZBLNTLUNJLTWIT-RFVHGSKJSA-N
XLogP4.65
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine
CID 157044437
1-cyclopropylpyrazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-(2-methylmorpholin-4-yl)-2,6-naphthyridin-1-one
CID 168887542
1-cyclopropyl-4-[(2S)-oxan-2-yl]pyrazole;2-methyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazine
CID 166122167
(2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine
CID 157044552
2-(2-methyl-4-pyridinyl)-4-[2-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 157044639
1-cyclopropylpyrazole;4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobutyl]pteridin-2-yl]-2-methylmorpholine
CID 166121741
4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157045478
4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine
CID 171392327
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
CID 166561577
4-[6,7-dimethyl-4-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pteridin-2-yl]morpholine;2-methylpyridine
CID 157045972

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc2c(C3=C=C(C(F)(F)F)C3)nc(N3CCO[C@H](C)C3)cc2n1.c1cnn(C2CC2)c1.
What is the InChIKey of 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?
The InChIKey is ZBLNTLUNJLTWIT-RFVHGSKJSA-N. The full InChI is InChI=1S/C18H17F3N4O.C6H8N2/c1-10-8-22-17-14(23-10)7-15(25-3-4-26-11(2)9-25)24-16(17)12-5-13(6-12)18(19,20)21;1-4-7-8(5-1)6-2-3-6/h7-8,11H,3-5,9H2,1-2H3;1,4-6H,2-3H2/t11-;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 470.50 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166121536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).