1-(6-tert-butyl-2-pyridinyl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-prop-2-enylpyrazolo[4,3-c]pyridin-3-one

C29H34N6O — CID 138537984

About 1-(6-tert-butyl-2-pyridinyl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-prop-2-enylpyrazolo[4,3-c]pyridin-3-one

1-(6-tert-butyl-2-pyridinyl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-prop-2-enylpyrazolo[4,3-c]pyridin-3-one (PubChem CID 138537984) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is 1-(6-tert-butyl-2-pyridinyl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-prop-2-enylpyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: 1-(6-tert-butyl-2-pyridinyl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-prop-2-enylpyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 138537984
• Molecular Formula: C29H34N6O
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.28
• IUPAC Name: 1-(6-tert-butyl-2-pyridinyl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-prop-2-enylpyrazolo[4,3-c]pyridin-3-one
• SMILES: C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CC(N(C)C)C4)cc2n1-c1cccc(C(C)(C)C)n1
• InChI: InChI=1S/C29H34N6O/c1-7-13-34-28(36)23-18-30-26(31-21-12-11-19-15-22(33(5)6)16-20(19)14-21)17-24(23)35(34)27-10-8-9-25(32-27)29(2,3)4/h7-12,14,17-18,22H,1,13,15-16H2,2-6H3,(H,30,31)
• InChIKey: JDXKRMQWDXPSEU-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 67.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-(6-tert-butyl-2-pyridinyl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-prop-2-enylpyrazolo[4,3-c]pyridin-3-one (CID 138537984) is 1-(6-tert-butyl-2-pyridinyl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-prop-2-enylpyrazolo[4,3-c]pyridin-3-one.

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

The canonical SMILES for 1-(6-tert-butyl-2-pyridinyl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-prop-2-enylpyrazolo[4,3-c]pyridin-3-one is C=CCn1c(=O)c2cnc(Nc3ccc4c(c3)CC(N(C)C)C4)cc2n1-c1cccc(C(C)(C)C)n1.

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

The InChIKey is JDXKRMQWDXPSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O/c1-7-13-34-28(36)23-18-30-26(31-21-12-11-19-15-22(33(5)6)16-20(19)14-21)17-24(23)35(34)27-10-8-9-25(32-27)29(2,3)4/h7-12,14,17-18,22H,1,13,15-16H2,2-6H3,(H,30,31).

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

1-(6-tert-butyl-2-pyridinyl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-prop-2-enylpyrazolo[4,3-c]pyridin-3-one has a molecular weight of 482.63 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-tert-butyl-2-pyridinyl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-prop-2-enylpyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138537984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).