(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine

C26H29F3N6O — CID 166834684

About (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine

(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine (PubChem CID 166834684) has the molecular formula C26H29F3N6O and a molecular weight of 498.55 g/mol. Its IUPAC name is (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine.

Molecular Properties

• Compound Name: (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
• PubChem CID: 166834684
• Molecular Formula: C26H29F3N6O
• Molecular Weight: 498.55 g/mol
• Exact Mass: 498.24
• IUPAC Name: (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine
• SMILES: Cc1cnc2c(C3CC4(C(F)(F)F)CC3C4)nc(N3C[C@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)cc2n1
• InChI: InChI=1S/C26H29F3N6O/c1-14-9-30-24-20(32-14)5-22(33-23(24)19-8-25(26(27,28)29)6-16(19)7-25)34-11-15(2)36-21(13-34)17-10-31-35(12-17)18-3-4-18/h5,9-10,12,15-16,18-19,21H,3-4,6-8,11,13H2,1-2H3/t15-,16?,19?,21+,25?/m0/s1
• InChIKey: AOPBWUARUVFNIX-VPUFPEEZSA-N
• XLogP: 5.28
• TPSA: 68.96 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.55
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?

The IUPAC name of (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine (CID 166834684) is (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine.

What is the SMILES notation for (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?

The canonical SMILES for (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine is Cc1cnc2c(C3CC4(C(F)(F)F)CC3C4)nc(N3C[C@H](C)O[C@@H](c4cnn(C5CC5)c4)C3)cc2n1.

What is the InChIKey of (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?

The InChIKey is AOPBWUARUVFNIX-VPUFPEEZSA-N. The full InChI is InChI=1S/C26H29F3N6O/c1-14-9-30-24-20(32-14)5-22(33-23(24)19-8-25(26(27,28)29)6-16(19)7-25)34-11-15(2)36-21(13-34)17-10-31-35(12-17)18-3-4-18/h5,9-10,12,15-16,18-19,21H,3-4,6-8,11,13H2,1-2H3/t15-,16?,19?,21+,25?/m0/s1.

What are the key properties of (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine?

(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine has a molecular weight of 498.55 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyl-4-[2-methyl-5-[4-(trifluoromethyl)-2-bicyclo[2.1.1]hexanyl]pyrido[3,4-b]pyrazin-7-yl]morpholine is sourced from PubChem (CID 166834684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).