2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one

C27H30FN7O — CID 138522902

About 2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one

2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 138522902) has the molecular formula C27H30FN7O and a molecular weight of 487.58 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

• Compound Name: 2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
• PubChem CID: 138522902
• Molecular Formula: C27H30FN7O
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.25
• IUPAC Name: 2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
• SMILES: CC(C)(F)c1cc(-n2c3nc(Nc4ccc5c(c4)CCNC5(C)C)ncc3c(=O)n2C2CC2)ccn1
• InChI: InChI=1S/C27H30FN7O/c1-26(2,28)22-14-19(10-11-29-22)34-23-20(24(36)35(34)18-6-7-18)15-30-25(33-23)32-17-5-8-21-16(13-17)9-12-31-27(21,3)4/h5,8,10-11,13-15,18,31H,6-7,9,12H2,1-4H3,(H,30,32,33)
• InChIKey: FQBKKVNPSHZQAI-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 89.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

The IUPAC name of 2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one (CID 138522902) is 2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one.

What is the SMILES notation for 2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

The canonical SMILES for 2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one is CC(C)(F)c1cc(-n2c3nc(Nc4ccc5c(c4)CCNC5(C)C)ncc3c(=O)n2C2CC2)ccn1.

What is the InChIKey of 2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

The InChIKey is FQBKKVNPSHZQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O/c1-26(2,28)22-14-19(10-11-29-22)34-23-20(24(36)35(34)18-6-7-18)15-30-25(33-23)32-17-5-8-21-16(13-17)9-12-31-27(21,3)4/h5,8,10-11,13-15,18,31H,6-7,9,12H2,1-4H3,(H,30,32,33).

What are the key properties of 2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 487.58 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-(2-fluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 138522902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).