6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine

C29H35F2N5O — CID 118159279

About 6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine

6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine (PubChem CID 118159279) has the molecular formula C29H35F2N5O and a molecular weight of 507.63 g/mol. Its IUPAC name is 6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine.

Molecular Properties

• Compound Name: 6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
• PubChem CID: 118159279
• Molecular Formula: C29H35F2N5O
• Molecular Weight: 507.63 g/mol
• Exact Mass: 507.28
• IUPAC Name: 6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine
• SMILES: CCC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CCN(Cc1ccccc1)C2
• InChI: InChI=1S/C29H35F2N5O/c1-3-20(2)32-28-29(36-15-11-23(12-16-36)37-27-10-9-22(30)17-24(27)31)34-25-13-14-35(19-26(25)33-28)18-21-7-5-4-6-8-21/h4-10,17,20,23H,3,11-16,18-19H2,1-2H3,(H,32,33)
• InChIKey: UFOGULKCXVYSFC-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 53.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.63
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine?

The IUPAC name of 6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine (CID 118159279) is 6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine.

What is the SMILES notation for 6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine?

The canonical SMILES for 6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine is CCC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CCN(Cc1ccccc1)C2.

What is the InChIKey of 6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine?

The InChIKey is UFOGULKCXVYSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2N5O/c1-3-20(2)32-28-29(36-15-11-23(12-16-36)37-27-10-9-22(30)17-24(27)31)34-25-13-14-35(19-26(25)33-28)18-21-7-5-4-6-8-21/h4-10,17,20,23H,3,11-16,18-19H2,1-2H3,(H,32,33).

What are the key properties of 6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine?

6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine has a molecular weight of 507.63 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-N-butan-2-yl-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 118159279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).