7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C18H24Cl2N4O — CID 119933177

IUPAC7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1cc(CN2CCNCC23CCCCC3)nc2ccc(Cl)cn12
InChIInChI=1S/C18H23ClN4O.ClH/c19-14-4-5-16-21-15(10-17(24)23(16)11-14)12-22-9-8-20-13-18(22)6-2-1-3-7-18;/h4-5,10-11,20H,1-3,6-9,12-13H2;1H
InChIKeyGBPLDXWAEIWCOI-UHFFFAOYSA-N
MW383.32 g/mol
LogP2.88
Rot. Bonds2

About 7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride

7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 119933177) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is 7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID119933177
Molecular FormulaC18H24Cl2N4O
Molecular Weight383.32 g/mol
Exact Mass382.13
IUPAC Name7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1cc(CN2CCNCC23CCCCC3)nc2ccc(Cl)cn12
InChIInChI=1S/C18H23ClN4O.ClH/c19-14-4-5-16-21-15(10-17(24)23(16)11-14)12-22-9-8-20-13-18(22)6-2-1-3-7-18;/h4-5,10-11,20H,1-3,6-9,12-13H2;1H
InChIKeyGBPLDXWAEIWCOI-UHFFFAOYSA-N
XLogP2.88
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 119933177) is 7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.O=c1cc(CN2CCNCC23CCCCC3)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is GBPLDXWAEIWCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O.ClH/c19-14-4-5-16-21-15(10-17(24)23(16)11-14)12-22-9-8-20-13-18(22)6-2-1-3-7-18;/h4-5,10-11,20H,1-3,6-9,12-13H2;1H.
What are the key properties of 7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 383.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 119933177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).