2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one

C28H32FN7O — CID 138537985

About 2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one

2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one (PubChem CID 138537985) has the molecular formula C28H32FN7O and a molecular weight of 501.61 g/mol. Its IUPAC name is 2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: 2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 138537985
• Molecular Formula: C28H32FN7O
• Molecular Weight: 501.61 g/mol
• Exact Mass: 501.27
• IUPAC Name: 2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one
• SMILES: CN(C)C1CCc2cc(Nc3cc4c(cn3)c(=O)n(C3CC3)n4-c3ccnc(C(C)(C)F)n3)ccc2C1
• InChI: InChI=1S/C28H32FN7O/c1-28(2,29)27-30-12-11-25(33-27)36-23-15-24(31-16-22(23)26(37)35(36)20-9-10-20)32-19-7-5-18-14-21(34(3)4)8-6-17(18)13-19/h5,7,11-13,15-16,20-21H,6,8-10,14H2,1-4H3,(H,31,32)
• InChIKey: AJGGNPPSEOKLTB-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.61
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one?

The IUPAC name of 2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one (CID 138537985) is 2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one.

What is the SMILES notation for 2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one?

The canonical SMILES for 2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one is CN(C)C1CCc2cc(Nc3cc4c(cn3)c(=O)n(C3CC3)n4-c3ccnc(C(C)(C)F)n3)ccc2C1.

What is the InChIKey of 2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one?

The InChIKey is AJGGNPPSEOKLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7O/c1-28(2,29)27-30-12-11-25(33-27)36-23-15-24(31-16-22(23)26(37)35(36)20-9-10-20)32-19-7-5-18-14-21(34(3)4)8-6-17(18)13-19/h5,7,11-13,15-16,20-21H,6,8-10,14H2,1-4H3,(H,31,32).

What are the key properties of 2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one?

2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 501.61 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138537985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).