7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine

C24H26F3N5O — CID 167284101

IUPAC7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine
SMILESC=C(CCC(F)(F)F)c1nc([C@H]2CCO[C@@H](c3cnn(C4CC4)c3)C2)cc2nc(C)cnc12
InChIInChI=1S/C24H26F3N5O/c1-14(5-7-24(25,26)27)22-23-20(30-15(2)11-28-23)10-19(31-22)16-6-8-33-21(9-16)17-12-29-32(13-17)18-3-4-18/h10-13,16,18,21H,1,3-9H2,2H3/t16-,21+/m0/s1
InChIKeySAMCSWYAGAOSTA-HRAATJIYSA-N
MW457.50 g/mol
LogP5.86
Rot. Bonds6

About 7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine

7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine (PubChem CID 167284101) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is 7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine
PubChem CID167284101
Molecular FormulaC24H26F3N5O
Molecular Weight457.50 g/mol
Exact Mass457.21
IUPAC Name7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine
SMILESC=C(CCC(F)(F)F)c1nc([C@H]2CCO[C@@H](c3cnn(C4CC4)c3)C2)cc2nc(C)cnc12
InChIInChI=1S/C24H26F3N5O/c1-14(5-7-24(25,26)27)22-23-20(30-15(2)11-28-23)10-19(31-22)16-6-8-33-21(9-16)17-12-29-32(13-17)18-3-4-18/h10-13,16,18,21H,1,3-9H2,2H3/t16-,21+/m0/s1
InChIKeySAMCSWYAGAOSTA-HRAATJIYSA-N
XLogP5.86
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine with MolForge

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Related Compounds

7-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(3-methyl-1-bicyclo[1.1.1]pentanyl)pyrido[3,4-b]pyrazine
CID 166123215
7-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
CID 157045292
7-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethyl-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[3,4-b]pyrazine
CID 157044736
7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine
CID 166123291
7-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrido[3,4-b]pyrazine
CID 166122883
7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(2,2,2-trifluoroethoxymethyl)pyrido[3,4-b]pyrazine
CID 166122780
5-(4-chloro-2-fluorophenyl)-7-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2,3-dimethylpyrido[3,4-b]pyrazine
CID 166561383
2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pteridine
CID 157044785
5-(4-chloro-2-fluorophenyl)-2-methyl-7-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157045194
2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122367
7-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(oxetan-3-ylmethoxymethyl)pyrido[3,4-b]pyrazine
CID 166122724
2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine;trifluoromethylcyclobutane
CID 166122825

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine?
The IUPAC name of 7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine (CID 167284101) is 7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine.
What is the SMILES notation for 7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine?
The canonical SMILES for 7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine is C=C(CCC(F)(F)F)c1nc([C@H]2CCO[C@@H](c3cnn(C4CC4)c3)C2)cc2nc(C)cnc12.
What is the InChIKey of 7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine?
The InChIKey is SAMCSWYAGAOSTA-HRAATJIYSA-N. The full InChI is InChI=1S/C24H26F3N5O/c1-14(5-7-24(25,26)27)22-23-20(30-15(2)11-28-23)10-19(31-22)16-6-8-33-21(9-16)17-12-29-32(13-17)18-3-4-18/h10-13,16,18,21H,1,3-9H2,2H3/t16-,21+/m0/s1.
What are the key properties of 7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine?
7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine has a molecular weight of 457.50 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-2-methyl-5-(5,5,5-trifluoropent-1-en-2-yl)pyrido[3,4-b]pyrazine is sourced from PubChem (CID 167284101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).