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

C28H33N7O — CID 138537897

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

1-(2-tert-butylpyrimidin-4-yl)-2-cyclopropyl-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrazolo[4,3-c]pyridin-3-one (PubChem CID 138537897) has the molecular formula C28H33N7O and a molecular weight of 483.62 g/mol. Its IUPAC name is 1-(2-tert-butylpyrimidin-4-yl)-2-cyclopropyl-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: 1-(2-tert-butylpyrimidin-4-yl)-2-cyclopropyl-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 138537897
• Molecular Formula: C28H33N7O
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.27
• IUPAC Name: 1-(2-tert-butylpyrimidin-4-yl)-2-cyclopropyl-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrazolo[4,3-c]pyridin-3-one
• SMILES: CN(C)C1Cc2ccc(Nc3cc4c(cn3)c(=O)n(C3CC3)n4-c3ccnc(C(C)(C)C)n3)cc2C1
• InChI: InChI=1S/C28H33N7O/c1-28(2,3)27-29-11-10-25(32-27)35-23-15-24(30-16-22(23)26(36)34(35)20-8-9-20)31-19-7-6-17-13-21(33(4)5)14-18(17)12-19/h6-7,10-12,15-16,20-21H,8-9,13-14H2,1-5H3,(H,30,31)
• InChIKey: GJKZUXRYZMPJID-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	4.38
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)-2-cyclopropyl-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrazolo[4,3-c]pyridin-3-one?

The IUPAC name of 1-(2-tert-butylpyrimidin-4-yl)-2-cyclopropyl-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrazolo[4,3-c]pyridin-3-one (CID 138537897) is 1-(2-tert-butylpyrimidin-4-yl)-2-cyclopropyl-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrazolo[4,3-c]pyridin-3-one.

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

The canonical SMILES for 1-(2-tert-butylpyrimidin-4-yl)-2-cyclopropyl-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrazolo[4,3-c]pyridin-3-one is CN(C)C1Cc2ccc(Nc3cc4c(cn3)c(=O)n(C3CC3)n4-c3ccnc(C(C)(C)C)n3)cc2C1.

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

The InChIKey is GJKZUXRYZMPJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O/c1-28(2,3)27-29-11-10-25(32-27)35-23-15-24(30-16-22(23)26(36)34(35)20-8-9-20)31-19-7-6-17-13-21(33(4)5)14-18(17)12-19/h6-7,10-12,15-16,20-21H,8-9,13-14H2,1-5H3,(H,30,31).

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

1-(2-tert-butylpyrimidin-4-yl)-2-cyclopropyl-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 483.62 g/mol, XLogP of 4.38, 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)-2-cyclopropyl-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138537897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).