6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine

C30H30FN7O2 — CID 171089766

About 6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine

6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine (PubChem CID 171089766) has the molecular formula C30H30FN7O2 and a molecular weight of 539.62 g/mol. Its IUPAC name is 6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine.

Molecular Properties

• Compound Name: 6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine
• PubChem CID: 171089766
• Molecular Formula: C30H30FN7O2
• Molecular Weight: 539.62 g/mol
• Exact Mass: 539.24
• IUPAC Name: 6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine
• SMILES: Cc1cc2c(N)nccc2c(C)c1CNc1cc(OCc2cn3cc(C4CC4)cc(C4(F)COC4)c3n2)ncn1
• InChI: InChI=1S/C30H30FN7O2/c1-17-7-23-22(5-6-33-28(23)32)18(2)24(17)10-34-26-9-27(36-16-35-26)40-13-21-12-38-11-20(19-3-4-19)8-25(29(38)37-21)30(31)14-39-15-30/h5-9,11-12,16,19H,3-4,10,13-15H2,1-2H3,(H2,32,33)(H,34,35,36)
• InChIKey: ZFDVXIBQNURVHG-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 112.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.62
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine?

The IUPAC name of 6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine (CID 171089766) is 6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine.

What is the SMILES notation for 6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine?

The canonical SMILES for 6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine is Cc1cc2c(N)nccc2c(C)c1CNc1cc(OCc2cn3cc(C4CC4)cc(C4(F)COC4)c3n2)ncn1.

What is the InChIKey of 6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine?

The InChIKey is ZFDVXIBQNURVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN7O2/c1-17-7-23-22(5-6-33-28(23)32)18(2)24(17)10-34-26-9-27(36-16-35-26)40-13-21-12-38-11-20(19-3-4-19)8-25(29(38)37-21)30(31)14-39-15-30/h5-9,11-12,16,19H,3-4,10,13-15H2,1-2H3,(H2,32,33)(H,34,35,36).

What are the key properties of 6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine?

6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine has a molecular weight of 539.62 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[6-[[6-cyclopropyl-8-(3-fluorooxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyrimidin-4-yl]amino]methyl]-5,7-dimethylisoquinolin-1-amine is sourced from PubChem (CID 171089766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).