1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one

C27H33N7O — CID 138538260

About 1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one

1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one (PubChem CID 138538260) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: 1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 138538260
• Molecular Formula: C27H33N7O
• Molecular Weight: 471.61 g/mol
• Exact Mass: 471.27
• IUPAC Name: 1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one
• SMILES: CCn1c(=O)c2cnc(Nc3ccc4c(c3)CC(N(C)C)C4)cc2n1-c1ccnc(C(C)(C)C)n1
• InChI: InChI=1S/C27H33N7O/c1-7-33-25(35)21-16-29-23(30-19-9-8-17-13-20(32(5)6)14-18(17)12-19)15-22(21)34(33)24-10-11-28-26(31-24)27(2,3)4/h8-12,15-16,20H,7,13-14H2,1-6H3,(H,29,30)
• InChIKey: JQGSKBAFVXKEJG-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.61
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one?

The IUPAC name of 1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one (CID 138538260) is 1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one.

What is the SMILES notation for 1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one?

The canonical SMILES for 1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one is CCn1c(=O)c2cnc(Nc3ccc4c(c3)CC(N(C)C)C4)cc2n1-c1ccnc(C(C)(C)C)n1.

What is the InChIKey of 1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one?

The InChIKey is JQGSKBAFVXKEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-7-33-25(35)21-16-29-23(30-19-9-8-17-13-20(32(5)6)14-18(17)12-19)15-22(21)34(33)24-10-11-28-26(31-24)27(2,3)4/h8-12,15-16,20H,7,13-14H2,1-6H3,(H,29,30).

What are the key properties of 1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one?

1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one has a molecular weight of 471.61 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138538260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).