N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide

C32H35F4N7O2 — CID 156780635

About N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide

N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide (PubChem CID 156780635) has the molecular formula C32H35F4N7O2 and a molecular weight of 625.67 g/mol. Its IUPAC name is N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide.

Molecular Properties

• Compound Name: N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
• PubChem CID: 156780635
• Molecular Formula: C32H35F4N7O2
• Molecular Weight: 625.67 g/mol
• Exact Mass: 625.28
• IUPAC Name: N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
• SMILES: CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NCC1CCN(CC2CNC2)CC1
• InChI: InChI=1S/C32H35F4N7O2/c1-2-21-13-22(3-4-23(21)31(44)40-16-19-7-10-42(11-8-19)18-20-14-37-15-20)41-29-30-39-17-25(43(30)12-9-38-29)24-5-6-26(45-32(35)36)28(34)27(24)33/h3-6,9,12-13,17,19-20,32,37H,2,7-8,10-11,14-16,18H2,1H3,(H,38,41)(H,40,44)
• InChIKey: DABKOIAOAYOZIL-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 95.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.67
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide?

The IUPAC name of N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide (CID 156780635) is N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide.

What is the SMILES notation for N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide?

The canonical SMILES for N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide is CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NCC1CCN(CC2CNC2)CC1.

What is the InChIKey of N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide?

The InChIKey is DABKOIAOAYOZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F4N7O2/c1-2-21-13-22(3-4-23(21)31(44)40-16-19-7-10-42(11-8-19)18-20-14-37-15-20)41-29-30-39-17-25(43(30)12-9-38-29)24-5-6-26(45-32(35)36)28(34)27(24)33/h3-6,9,12-13,17,19-20,32,37H,2,7-8,10-11,14-16,18H2,1H3,(H,38,41)(H,40,44).

What are the key properties of N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide?

N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide has a molecular weight of 625.67 g/mol, XLogP of 5.24, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(azetidin-3-ylmethyl)piperidin-4-yl]methyl]-4-[[3-[4-(difluoromethoxy)-2,3-difluorophenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide is sourced from PubChem (CID 156780635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).