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

C19H23ClN4O2 — CID 72899385

IUPAC7-chloro-2-[[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3cc(Cl)ccc3n1)C2
InChIInChI=1S/C19H23ClN4O2/c1-2-7-23-16-5-3-13(19(23)26)9-22(12-16)11-15-8-18(25)24-10-14(20)4-6-17(24)21-15/h4,6,8,10,13,16H,2-3,5,7,9,11-12H2,1H3/t13-,16+/m0/s1
InChIKeyGRBZVRJUYQZEOE-XJKSGUPXSA-N
MW374.87 g/mol
LogP2.18
Rot. Bonds4

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

7-chloro-2-[[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 72899385) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 7-chloro-2-[[(1S,5R)-7-oxo-6-propyl-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)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID72899385
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name7-chloro-2-[[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3cc(Cl)ccc3n1)C2
InChIInChI=1S/C19H23ClN4O2/c1-2-7-23-16-5-3-13(19(23)26)9-22(12-16)11-15-8-18(25)24-10-14(20)4-6-17(24)21-15/h4,6,8,10,13,16H,2-3,5,7,9,11-12H2,1H3/t13-,16+/m0/s1
InChIKeyGRBZVRJUYQZEOE-XJKSGUPXSA-N
XLogP2.18
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-[[(1S,5R)-7-oxo-6-propyl-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)-7-oxo-6-propyl-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)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 72899385) is 7-chloro-2-[[(1S,5R)-7-oxo-6-propyl-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)-7-oxo-6-propyl-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)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is CCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3cc(Cl)ccc3n1)C2.
What is the InChIKey of 7-chloro-2-[[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GRBZVRJUYQZEOE-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-2-7-23-16-5-3-13(19(23)26)9-22(12-16)11-15-8-18(25)24-10-14(20)4-6-17(24)21-15/h4,6,8,10,13,16H,2-3,5,7,9,11-12H2,1H3/t13-,16+/m0/s1.
What are the key properties of 7-chloro-2-[[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[(1S,5R)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 374.87 g/mol, XLogP of 2.18, 4 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)-7-oxo-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 72899385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).