2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol

C34H38F2N6O2 — CID 178168599

About 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol

2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol (PubChem CID 178168599) has the molecular formula C34H38F2N6O2 and a molecular weight of 600.71 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol.

Molecular Properties

• Compound Name: 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol
• PubChem CID: 178168599
• Molecular Formula: C34H38F2N6O2
• Molecular Weight: 600.71 g/mol
• Exact Mass: 600.30
• IUPAC Name: 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol
• SMILES: Cc1c(CCOc2c(-c3ccc4ncc(CNCc5cccnc5)n4c3)ccc(F)c2F)c(C(O)C(C)(C)C2CC2)nn1C
• InChI: InChI=1S/C34H38F2N6O2/c1-21-26(31(40-41(21)4)33(43)34(2,3)24-8-9-24)13-15-44-32-27(10-11-28(35)30(32)36)23-7-12-29-39-19-25(42(29)20-23)18-38-17-22-6-5-14-37-16-22/h5-7,10-12,14,16,19-20,24,33,38,43H,8-9,13,15,17-18H2,1-4H3
• InChIKey: FCVSIMKDKIITQC-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 89.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.71
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol?

The IUPAC name of 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol (CID 178168599) is 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol.

What is the SMILES notation for 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol?

The canonical SMILES for 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol is Cc1c(CCOc2c(-c3ccc4ncc(CNCc5cccnc5)n4c3)ccc(F)c2F)c(C(O)C(C)(C)C2CC2)nn1C.

What is the InChIKey of 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol?

The InChIKey is FCVSIMKDKIITQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F2N6O2/c1-21-26(31(40-41(21)4)33(43)34(2,3)24-8-9-24)13-15-44-32-27(10-11-28(35)30(32)36)23-7-12-29-39-19-25(42(29)20-23)18-38-17-22-6-5-14-37-16-22/h5-7,10-12,14,16,19-20,24,33,38,43H,8-9,13,15,17-18H2,1-4H3.

What are the key properties of 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol?

2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol has a molecular weight of 600.71 g/mol, XLogP of 6.10, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-1-[4-[2-[2,3-difluoro-6-[3-[(pyridin-3-ylmethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 178168599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).