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

C26H22F5N5O — CID 166123291

IUPAC7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine
SMILESCc1nc2cc([C@H]3CCO[C@H](c4cnn(C5CC5)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C(F)(F)F
InChIInChI=1S/C26H22F5N5O/c1-13-25(26(29,30)31)35-24-21(33-13)10-20(34-23(24)18-5-2-16(27)9-19(18)28)14-6-7-37-22(8-14)15-11-32-36(12-15)17-3-4-17/h2,5,9-12,14,17,22H,3-4,6-8H2,1H3/t14-,22-/m0/s1
InChIKeyRECPOGJIAMKGQM-FPTDNZKUSA-N
MW515.49 g/mol
LogP6.46
Rot. Bonds4

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

7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine (PubChem CID 166123291) has the molecular formula C26H22F5N5O and a molecular weight of 515.49 g/mol. Its IUPAC name is 7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine
PubChem CID166123291
Molecular FormulaC26H22F5N5O
Molecular Weight515.49 g/mol
Exact Mass515.17
IUPAC Name7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine
SMILESCc1nc2cc([C@H]3CCO[C@H](c4cnn(C5CC5)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C(F)(F)F
InChIInChI=1S/C26H22F5N5O/c1-13-25(26(29,30)31)35-24-21(33-13)10-20(34-23(24)18-5-2-16(27)9-19(18)28)14-6-7-37-22(8-14)15-11-32-36(12-15)17-3-4-17/h2,5,9-12,14,17,22H,3-4,6-8H2,1H3/t14-,22-/m0/s1
InChIKeyRECPOGJIAMKGQM-FPTDNZKUSA-N
XLogP6.46
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.49
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
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-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
CID 157045292
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
7-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine
CID 157045817
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
6-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-3-methylpyrido[3,4-d]triazin-4-one
CID 172592802
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[3,4-b]pyrazine
CID 157044391
5-[(2R)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]oxan-2-yl]-1-methylpyridin-2-one
CID 177138493
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine
CID 166123010
6-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 168887397
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

Frequently Asked Questions

What is the IUPAC name of 7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine?
The IUPAC name of 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) is 7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine.
What is the SMILES notation for 7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine?
The canonical SMILES for 7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine is Cc1nc2cc([C@H]3CCO[C@H](c4cnn(C5CC5)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C(F)(F)F.
What is the InChIKey of 7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine?
The InChIKey is RECPOGJIAMKGQM-FPTDNZKUSA-N. The full InChI is InChI=1S/C26H22F5N5O/c1-13-25(26(29,30)31)35-24-21(33-13)10-20(34-23(24)18-5-2-16(27)9-19(18)28)14-6-7-37-22(8-14)15-11-32-36(12-15)17-3-4-17/h2,5,9-12,14,17,22H,3-4,6-8H2,1H3/t14-,22-/m0/s1.
What are the key properties of 7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine?
7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine has a molecular weight of 515.49 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methyl-3-(trifluoromethyl)pyrido[3,4-b]pyrazine is sourced from PubChem (CID 166123291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).