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

C25H29N5O — CID 166123215

IUPAC7-[(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
SMILESCc1cnc2c(C34CC(C)(C3)C4)nc([C@@H]3CCO[C@H](c4cnn(C5CC5)c4)C3)cc2n1
InChIInChI=1S/C25H29N5O/c1-15-9-26-22-20(28-15)8-19(29-23(22)25-12-24(2,13-25)14-25)16-5-6-31-21(7-16)17-10-27-30(11-17)18-3-4-18/h8-11,16,18,21H,3-7,12-14H2,1-2H3/t16-,21+,24?,25?/m1/s1
InChIKeyAXBKSGUDODQKGV-INEKZKRISA-N
MW415.54 g/mol
LogP4.94
Rot. Bonds4

About 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

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 (PubChem CID 166123215) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[(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
PubChem CID166123215
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name7-[(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
SMILESCc1cnc2c(C34CC(C)(C3)C4)nc([C@@H]3CCO[C@H](c4cnn(C5CC5)c4)C3)cc2n1
InChIInChI=1S/C25H29N5O/c1-15-9-26-22-20(28-15)8-19(29-23(22)25-12-24(2,13-25)14-25)16-5-6-31-21(7-16)17-10-27-30(11-17)18-3-4-18/h8-11,16,18,21H,3-7,12-14H2,1-2H3/t16-,21+,24?,25?/m1/s1
InChIKeyAXBKSGUDODQKGV-INEKZKRISA-N
XLogP4.94
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazine
CID 157045292
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
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
(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
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-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122367
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
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
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methyl-6-(1-methylpyrazol-3-yl)-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine
CID 177137272
2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methyl-6-(1-methyltriazol-4-yl)-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[2,3-d]pyrimidine
CID 177137232
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridine
CID 166123326

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc2c(C34CC(C)(C3)C4)nc([C@@H]3CCO[C@H](c4cnn(C5CC5)c4)C3)cc2n1.
What is the InChIKey of 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?
The InChIKey is AXBKSGUDODQKGV-INEKZKRISA-N. The full InChI is InChI=1S/C25H29N5O/c1-15-9-26-22-20(28-15)8-19(29-23(22)25-12-24(2,13-25)14-25)16-5-6-31-21(7-16)17-10-27-30(11-17)18-3-4-18/h8-11,16,18,21H,3-7,12-14H2,1-2H3/t16-,21+,24?,25?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 415.54 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166123215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).