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

C18H19ClN6O3 — CID 118621100

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

6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 118621100) has the molecular formula C18H19ClN6O3 and a molecular weight of 402.84 g/mol. Its IUPAC name is 6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

• Compound Name: 6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
• PubChem CID: 118621100
• Molecular Formula: C18H19ClN6O3
• Molecular Weight: 402.84 g/mol
• Exact Mass: 402.12
• IUPAC Name: 6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
• SMILES: CC(C)N1CCn2c(CNc3cc4[nH]ncc4c(Cl)n3)cc(=O)c(O)c2C1=O
• InChI: InChI=1S/C18H19ClN6O3/c1-9(2)24-3-4-25-10(5-13(26)16(27)15(25)18(24)28)7-20-14-6-12-11(8-21-23-12)17(19)22-14/h5-6,8-9,27H,3-4,7H2,1-2H3,(H,20,22)(H,21,23)
• InChIKey: PMQMCYUGMYJUCC-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 116.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.84
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 118621100) is 6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

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

The canonical SMILES for 6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is CC(C)N1CCn2c(CNc3cc4[nH]ncc4c(Cl)n3)cc(=O)c(O)c2C1=O.

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

The InChIKey is PMQMCYUGMYJUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O3/c1-9(2)24-3-4-25-10(5-13(26)16(27)15(25)18(24)28)7-20-14-6-12-11(8-21-23-12)17(19)22-14/h5-6,8-9,27H,3-4,7H2,1-2H3,(H,20,22)(H,21,23).

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

6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 402.84 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 118621100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).