[2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea

C30H30F2N8O2 — CID 139296267

About [2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea

[2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea (PubChem CID 139296267) has the molecular formula C30H30F2N8O2 and a molecular weight of 572.62 g/mol. Its IUPAC name is [2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: [2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
• PubChem CID: 139296267
• Molecular Formula: C30H30F2N8O2
• Molecular Weight: 572.62 g/mol
• Exact Mass: 572.25
• IUPAC Name: [2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
• SMILES: Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1nccn3ccnc13)CC2
• InChI: InChI=1S/C30H30F2N8O2/c1-17(2)16-42-25-6-4-5-18(3)26(25)40-27(19-13-22(32)24(14-21(19)31)36-30(33)41)20-15-39(10-7-23(20)37-40)29-28-34-8-11-38(28)12-9-35-29/h4-6,8-9,11-14,17H,7,10,15-16H2,1-3H3,(H3,33,36,41)
• InChIKey: VZKJSZDCVZPCDJ-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 115.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.62
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?

The IUPAC name of [2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea (CID 139296267) is [2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea.

What is the SMILES notation for [2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?

The canonical SMILES for [2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea is Cc1cccc(OCC(C)C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(c1nccn3ccnc13)CC2.

What is the InChIKey of [2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?

The InChIKey is VZKJSZDCVZPCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O2/c1-17(2)16-42-25-6-4-5-18(3)26(25)40-27(19-13-22(32)24(14-21(19)31)36-30(33)41)20-15-39(10-7-23(20)37-40)29-28-34-8-11-38(28)12-9-35-29/h4-6,8-9,11-14,17H,7,10,15-16H2,1-3H3,(H3,33,36,41).

What are the key properties of [2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea?

[2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea has a molecular weight of 572.62 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea is sourced from PubChem (CID 139296267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).