cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone

C25H29F4N5O2 — CID 118159159

About cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone

cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone (PubChem CID 118159159) has the molecular formula C25H29F4N5O2 and a molecular weight of 507.53 g/mol. Its IUPAC name is cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone
• PubChem CID: 118159159
• Molecular Formula: C25H29F4N5O2
• Molecular Weight: 507.53 g/mol
• Exact Mass: 507.23
• IUPAC Name: cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone
• SMILES: CC1Cc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2CN1C(=O)C1CC1
• InChI: InChI=1S/C25H29F4N5O2/c1-14-10-19-20(13-34(14)25(35)15-2-3-15)32-24(23(31-19)30-12-22(28)29)33-8-6-17(7-9-33)36-21-5-4-16(26)11-18(21)27/h4-5,11,14-15,17,22H,2-3,6-10,12-13H2,1H3,(H,30,31)
• InChIKey: RKCKCWRACZCCFE-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.53
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone?

The IUPAC name of cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone (CID 118159159) is cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone.

What is the SMILES notation for cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone?

The canonical SMILES for cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone is CC1Cc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2CN1C(=O)C1CC1.

What is the InChIKey of cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone?

The InChIKey is RKCKCWRACZCCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F4N5O2/c1-14-10-19-20(13-34(14)25(35)15-2-3-15)32-24(23(31-19)30-12-22(28)29)33-8-6-17(7-9-33)36-21-5-4-16(26)11-18(21)27/h4-5,11,14-15,17,22H,2-3,6-10,12-13H2,1H3,(H,30,31).

What are the key properties of cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone?

cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone has a molecular weight of 507.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]methanone is sourced from PubChem (CID 118159159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).