8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C17H21ClN4O — CID 176681668

IUPAC8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCC3)cnc2cc(Cl)ccn12
InChIInChI=1S/C17H21ClN4O/c18-14-3-7-22-15(9-14)20-10-13(16(22)23)11-21-8-6-19-12-17(21)4-1-2-5-17/h3,7,9-10,19H,1-2,4-6,8,11-12H2
InChIKeyAQMPYWAGJOQOBX-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.07
Rot. Bonds2

About 8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 176681668) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID176681668
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CN2CCNCC23CCCC3)cnc2cc(Cl)ccn12
InChIInChI=1S/C17H21ClN4O/c18-14-3-7-22-15(9-14)20-10-13(16(22)23)11-21-8-6-19-12-17(21)4-1-2-5-17/h3,7,9-10,19H,1-2,4-6,8,11-12H2
InChIKeyAQMPYWAGJOQOBX-UHFFFAOYSA-N
XLogP2.07
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 176681668) is 8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(CN2CCNCC23CCCC3)cnc2cc(Cl)ccn12.
What is the InChIKey of 8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AQMPYWAGJOQOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c18-14-3-7-22-15(9-14)20-10-13(16(22)23)11-21-8-6-19-12-17(21)4-1-2-5-17/h3,7,9-10,19H,1-2,4-6,8,11-12H2.
What are the key properties of 8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 332.83 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176681668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).