6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C20H24ClN7O3 — CID 118621080

About 6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 118621080) has the molecular formula C20H24ClN7O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is 6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

• Compound Name: 6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
• PubChem CID: 118621080
• Molecular Formula: C20H24ClN7O3
• Molecular Weight: 445.91 g/mol
• Exact Mass: 445.16
• IUPAC Name: 6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
• SMILES: CC(C)N1CCn2c(CNCCNc3cc4[nH]ncc4c(Cl)n3)cc(=O)c(O)c2C1=O
• InChI: InChI=1S/C20H24ClN7O3/c1-11(2)27-5-6-28-12(7-15(29)18(30)17(28)20(27)31)9-22-3-4-23-16-8-14-13(10-24-26-14)19(21)25-16/h7-8,10-11,22,30H,3-6,9H2,1-2H3,(H,23,25)(H,24,26)
• InChIKey: ZGCCJBAKDUCVDC-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 128.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.91
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

The IUPAC name of 6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 118621080) is 6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

What is the SMILES notation for 6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

The canonical SMILES for 6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is CC(C)N1CCn2c(CNCCNc3cc4[nH]ncc4c(Cl)n3)cc(=O)c(O)c2C1=O.

What is the InChIKey of 6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

The InChIKey is ZGCCJBAKDUCVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN7O3/c1-11(2)27-5-6-28-12(7-15(29)18(30)17(28)20(27)31)9-22-3-4-23-16-8-14-13(10-24-26-14)19(21)25-16/h7-8,10-11,22,30H,3-6,9H2,1-2H3,(H,23,25)(H,24,26).

What are the key properties of 6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 445.91 g/mol, XLogP of 1.54, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 118621080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).