2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine

C28H35ClN6 — CID 170134440

About 2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine

2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine (PubChem CID 170134440) has the molecular formula C28H35ClN6 and a molecular weight of 491.08 g/mol. Its IUPAC name is 2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine
• PubChem CID: 170134440
• Molecular Formula: C28H35ClN6
• Molecular Weight: 491.08 g/mol
• Exact Mass: 490.26
• IUPAC Name: 2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine
• SMILES: C=C(C)c1cnn2cc(CCN(C)Cc3nn4cc(CCN(C)C)ccc4c3C(=C)C)c(Cl)cc12
• InChI: InChI=1S/C28H35ClN6/c1-19(2)23-15-30-34-17-22(24(29)14-27(23)34)11-13-33(7)18-25-28(20(3)4)26-9-8-21(10-12-32(5)6)16-35(26)31-25/h8-9,14-17H,1,3,10-13,18H2,2,4-7H3
• InChIKey: HRBDDAFFYVKGDL-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 41.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.08
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine?

The IUPAC name of 2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine (CID 170134440) is 2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine.

What is the SMILES notation for 2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine?

The canonical SMILES for 2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine is C=C(C)c1cnn2cc(CCN(C)Cc3nn4cc(CCN(C)C)ccc4c3C(=C)C)c(Cl)cc12.

What is the InChIKey of 2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine?

The InChIKey is HRBDDAFFYVKGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN6/c1-19(2)23-15-30-34-17-22(24(29)14-27(23)34)11-13-33(7)18-25-28(20(3)4)26-9-8-21(10-12-32(5)6)16-35(26)31-25/h8-9,14-17H,1,3,10-13,18H2,2,4-7H3.

What are the key properties of 2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine?

2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine has a molecular weight of 491.08 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-(5-chloro-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl)ethyl-methylamino]methyl]-3-prop-1-en-2-ylpyrazolo[1,5-a]pyridin-6-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 170134440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).