6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one

C29H36N6O2 — CID 138537478

About 6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one

6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one (PubChem CID 138537478) has the molecular formula C29H36N6O2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: 6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 138537478
• Molecular Formula: C29H36N6O2
• Molecular Weight: 500.65 g/mol
• Exact Mass: 500.29
• IUPAC Name: 6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one
• SMILES: CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CC(N(C)C)CC4)cc2n1-c1cccc(C(C)(C)O)n1
• InChI: InChI=1S/C29H36N6O2/c1-18(2)34-28(36)23-17-30-26(16-24(23)35(34)27-9-7-8-25(32-27)29(3,4)37)31-21-12-10-19-11-13-22(33(5)6)15-20(19)14-21/h7-10,12,14,16-18,22,37H,11,13,15H2,1-6H3,(H,30,31)
• InChIKey: PLOAFRRLRJAZGR-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 88.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.65
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one?

The IUPAC name of 6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one (CID 138537478) is 6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one.

What is the SMILES notation for 6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one?

The canonical SMILES for 6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one is CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CC(N(C)C)CC4)cc2n1-c1cccc(C(C)(C)O)n1.

What is the InChIKey of 6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one?

The InChIKey is PLOAFRRLRJAZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O2/c1-18(2)34-28(36)23-17-30-26(16-24(23)35(34)27-9-7-8-25(32-27)29(3,4)37)31-21-12-10-19-11-13-22(33(5)6)15-20(19)14-21/h7-10,12,14,16-18,22,37H,11,13,15H2,1-6H3,(H,30,31).

What are the key properties of 6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one?

6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one has a molecular weight of 500.65 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138537478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).