(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine

C27H31F3N6O — CID 166834685

About (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine

(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine (PubChem CID 166834685) has the molecular formula C27H31F3N6O and a molecular weight of 512.58 g/mol. Its IUPAC name is (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine.

Molecular Properties

• Compound Name: (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
• PubChem CID: 166834685
• Molecular Formula: C27H31F3N6O
• Molecular Weight: 512.58 g/mol
• Exact Mass: 512.25
• IUPAC Name: (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
• SMILES: Cc1cnc2c(C3C[C@H](C(F)(F)F)C4CC3C4)nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)cc2n1
• InChI: InChI=1S/C27H31F3N6O/c1-14-9-31-26-22(33-14)8-24(34-25(26)20-7-21(27(28,29)30)17-5-16(20)6-17)35-11-15(2)37-23(13-35)18-10-32-36(12-18)19-3-4-19/h8-10,12,15-17,19-21,23H,3-7,11,13H2,1-2H3/t15-,16?,17?,20?,21+,23+/m1/s1
• InChIKey: OITIEJARIGFVFS-ARVHNWSYSA-N
• XLogP: 5.52
• TPSA: 68.96 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.58
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?

The IUPAC name of (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine (CID 166834685) is (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine.

What is the SMILES notation for (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?

The canonical SMILES for (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine is Cc1cnc2c(C3C[C@H](C(F)(F)F)C4CC3C4)nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)cc2n1.

What is the InChIKey of (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?

The InChIKey is OITIEJARIGFVFS-ARVHNWSYSA-N. The full InChI is InChI=1S/C27H31F3N6O/c1-14-9-31-26-22(33-14)8-24(34-25(26)20-7-21(27(28,29)30)17-5-16(20)6-17)35-11-15(2)37-23(13-35)18-10-32-36(12-18)19-3-4-19/h8-10,12,15-17,19-21,23H,3-7,11,13H2,1-2H3/t15-,16?,17?,20?,21+,23+/m1/s1.

What are the key properties of (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?

(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine has a molecular weight of 512.58 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[(4S)-4-(trifluoromethyl)-2-bicyclo[3.1.1]heptanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine is sourced from PubChem (CID 166834685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).