7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H19ClN4O2 — CID 70709970

IUPAC7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3cc(Cl)ccc3n1)C2
InChIInChI=1S/C17H19ClN4O2/c1-20-14-4-2-11(17(20)24)7-21(10-14)9-13-6-16(23)22-8-12(18)3-5-15(22)19-13/h3,5-6,8,11,14H,2,4,7,9-10H2,1H3/t11-,14+/m0/s1
InChIKeyKEWMTSGNTXLBJA-SMDDNHRTSA-N
MW346.82 g/mol
LogP1.40
Rot. Bonds2

About 7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 70709970) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID70709970
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3cc(Cl)ccc3n1)C2
InChIInChI=1S/C17H19ClN4O2/c1-20-14-4-2-11(17(20)24)7-21(10-14)9-13-6-16(23)22-8-12(18)3-5-15(22)19-13/h3,5-6,8,11,14H,2,4,7,9-10H2,1H3/t11-,14+/m0/s1
InChIKeyKEWMTSGNTXLBJA-SMDDNHRTSA-N
XLogP1.40
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 70709970) is 7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is CN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3cc(Cl)ccc3n1)C2.
What is the InChIKey of 7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KEWMTSGNTXLBJA-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-20-14-4-2-11(17(20)24)7-21(10-14)9-13-6-16(23)22-8-12(18)3-5-15(22)19-13/h3,5-6,8,11,14H,2,4,7,9-10H2,1H3/t11-,14+/m0/s1.
What are the key properties of 7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 346.82 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70709970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).