6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-one

C29H31F3N6O — CID 138538286

About 6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-one

6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-one (PubChem CID 138538286) has the molecular formula C29H31F3N6O and a molecular weight of 536.60 g/mol. Its IUPAC name is 6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: 6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 138538286
• Molecular Formula: C29H31F3N6O
• Molecular Weight: 536.60 g/mol
• Exact Mass: 536.25
• IUPAC Name: 6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-one
• SMILES: CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4(C)C)cc2n1-c1cccc(C2(C(F)(F)F)CC2)n1
• InChI: InChI=1S/C29H31F3N6O/c1-17(2)37-26(39)20-16-33-24(35-19-8-9-21-18(14-19)10-13-34-27(21,3)4)15-22(20)38(37)25-7-5-6-23(36-25)28(11-12-28)29(30,31)32/h5-9,14-17,34H,10-13H2,1-4H3,(H,33,35)
• InChIKey: UBNZGSVURIEVOQ-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 76.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.60
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-one (CID 138538286) is 6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-one.

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

The canonical SMILES for 6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-one is CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4(C)C)cc2n1-c1cccc(C2(C(F)(F)F)CC2)n1.

What is the InChIKey of 6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-one?

The InChIKey is UBNZGSVURIEVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N6O/c1-17(2)37-26(39)20-16-33-24(35-19-8-9-21-18(14-19)10-13-34-27(21,3)4)15-22(20)38(37)25-7-5-6-23(36-25)28(11-12-28)29(30,31)32/h5-9,14-17,34H,10-13H2,1-4H3,(H,33,35).

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

6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 536.60 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138538286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).