1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine

C25H26F3N7O — CID 157045314

IUPAC1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
SMILESCc1nc2cc(N3CCOCC3)nc(-c3ccc(C(F)(F)F)nc3)c2nc1C.c1cnn(C2CC2)c1
InChIInChI=1S/C19H18F3N5O.C6H8N2/c1-11-12(2)25-18-14(24-11)9-16(27-5-7-28-8-6-27)26-17(18)13-3-4-15(23-10-13)19(20,21)22;1-4-7-8(5-1)6-2-3-6/h3-4,9-10H,5-8H2,1-2H3;1,4-6H,2-3H2
InChIKeyWNJAAZDTGXFJBK-UHFFFAOYSA-N
MW497.53 g/mol
LogP4.78
Rot. Bonds3

About 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine

1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine (PubChem CID 157045314) has the molecular formula C25H26F3N7O and a molecular weight of 497.53 g/mol. Its IUPAC name is 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine.

Molecular Properties

Compound Name1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
PubChem CID157045314
Molecular FormulaC25H26F3N7O
Molecular Weight497.53 g/mol
Exact Mass497.22
IUPAC Name1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
SMILESCc1nc2cc(N3CCOCC3)nc(-c3ccc(C(F)(F)F)nc3)c2nc1C.c1cnn(C2CC2)c1
InChIInChI=1S/C19H18F3N5O.C6H8N2/c1-11-12(2)25-18-14(24-11)9-16(27-5-7-28-8-6-27)26-17(18)13-3-4-15(23-10-13)19(20,21)22;1-4-7-8(5-1)6-2-3-6/h3-4,9-10H,5-8H2,1-2H3;1,4-6H,2-3H2
InChIKeyWNJAAZDTGXFJBK-UHFFFAOYSA-N
XLogP4.78
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
4-(5-cyclobutyl-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157045478
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;(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
4-(4-cyclobutyl-6,7-dimethylpteridin-2-yl)morpholine;1-cyclopropylpyrazole;fluoroform
CID 157044934
4-[5-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]oxy-1,6-naphthyridin-7-yl]morpholine
CID 165112977
1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
4-[6,7-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]pteridin-2-yl]-2-(2-methoxy-4-pyridinyl)morpholine
CID 157045695
2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one
CID 166830859
1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine
CID 157044437
2,3-dimethyl-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170711533
4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine;2-methylpyridine
CID 157045652

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?
The IUPAC name of 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine (CID 157045314) is 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine.
What is the SMILES notation for 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?
The canonical SMILES for 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine is Cc1nc2cc(N3CCOCC3)nc(-c3ccc(C(F)(F)F)nc3)c2nc1C.c1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?
The InChIKey is WNJAAZDTGXFJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O.C6H8N2/c1-11-12(2)25-18-14(24-11)9-16(27-5-7-28-8-6-27)26-17(18)13-3-4-15(23-10-13)19(20,21)22;1-4-7-8(5-1)6-2-3-6/h3-4,9-10H,5-8H2,1-2H3;1,4-6H,2-3H2.
What are the key properties of 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?
1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine has a molecular weight of 497.53 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-b]pyrazin-7-yl]morpholine is sourced from PubChem (CID 157045314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).