6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C18H21ClN6O2 — CID 118637897

About 6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 118637897) has the molecular formula C18H21ClN6O2 and a molecular weight of 388.86 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-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

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-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
• PubChem CID: 118637897
• Molecular Formula: C18H21ClN6O2
• Molecular Weight: 388.86 g/mol
• Exact Mass: 388.14
• IUPAC Name: 6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
• SMILES: CC(C)N1CCn2c(CNc3cc4[nH]ncc4c(Cl)n3)cc(=O)c(O)c2C1
• InChI: InChI=1S/C18H21ClN6O2/c1-10(2)24-3-4-25-11(5-15(26)17(27)14(25)9-24)7-20-16-6-13-12(8-21-23-13)18(19)22-16/h5-6,8,10,27H,3-4,7,9H2,1-2H3,(H,20,22)(H,21,23)
• InChIKey: GDMGNUNXTPVDGI-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 99.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.86
LogP ≤ 5	2.31
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-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?

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-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 118637897) is 6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

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-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?

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-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is CC(C)N1CCn2c(CNc3cc4[nH]ncc4c(Cl)n3)cc(=O)c(O)c2C1.

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-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?

The InChIKey is GDMGNUNXTPVDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O2/c1-10(2)24-3-4-25-11(5-15(26)17(27)14(25)9-24)7-20-16-6-13-12(8-21-23-13)18(19)22-16/h5-6,8,10,27H,3-4,7,9H2,1-2H3,(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-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?

6-[[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 388.86 g/mol, XLogP of 2.31, 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-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 118637897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).