9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C17H20N4O3 — CID 74236066

IUPAC9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc3c(O)cccn3c1=O)C2
InChIInChI=1S/C17H20N4O3/c1-19-8-11-4-5-12(10-19)21(9-11)17(24)13-7-18-15-14(22)3-2-6-20(15)16(13)23/h2-3,6-7,11-12,22H,4-5,8-10H2,1H3/t11-,12+/m0/s1
InChIKeyDQNWABONJVHVHS-NWDGAFQWSA-N
MW328.37 g/mol
LogP0.57
Rot. Bonds1

About 9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 74236066) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID74236066
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc3c(O)cccn3c1=O)C2
InChIInChI=1S/C17H20N4O3/c1-19-8-11-4-5-12(10-19)21(9-11)17(24)13-7-18-15-14(22)3-2-6-20(15)16(13)23/h2-3,6-7,11-12,22H,4-5,8-10H2,1H3/t11-,12+/m0/s1
InChIKeyDQNWABONJVHVHS-NWDGAFQWSA-N
XLogP0.57
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 74236066) is 9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one is CN1C[C@@H]2CC[C@H](C1)N(C(=O)c1cnc3c(O)cccn3c1=O)C2.
What is the InChIKey of 9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DQNWABONJVHVHS-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-19-8-11-4-5-12(10-19)21(9-11)17(24)13-7-18-15-14(22)3-2-6-20(15)16(13)23/h2-3,6-7,11-12,22H,4-5,8-10H2,1H3/t11-,12+/m0/s1.
What are the key properties of 9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 328.37 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-[(1S,5R)-3-methyl-3,6-diazabicyclo[3.2.2]nonane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 74236066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).