5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one

C16H17ClN4O2 — CID 137291463

IUPAC5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(N2CCC3(CC2)COC3)c1Cl
InChIInChI=1S/C16H17ClN4O2/c17-12-14(21-7-3-16(4-8-21)9-23-10-16)19-13(20-15(12)22)11-1-5-18-6-2-11/h1-2,5-6H,3-4,7-10H2,(H,19,20,22)
InChIKeyITFLUHVMBQWIFA-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.10
Rot. Bonds2

About 5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one

5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 137291463) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID137291463
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(N2CCC3(CC2)COC3)c1Cl
InChIInChI=1S/C16H17ClN4O2/c17-12-14(21-7-3-16(4-8-21)9-23-10-16)19-13(20-15(12)22)11-1-5-18-6-2-11/h1-2,5-6H,3-4,7-10H2,(H,19,20,22)
InChIKeyITFLUHVMBQWIFA-UHFFFAOYSA-N
XLogP2.10
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137291501
5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137291610
5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291499
5-chloro-4-[(3S)-3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291548
5-chloro-4-[(3Z)-3-(2-hydroxyethylidene)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 142309363
5-chloro-4-[3-(1,1-difluoroethyl)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291594
5-chloro-4-[(3S)-3-(2-hydroxypropan-2-yl)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291672
(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 137291643
5-chloro-2-(2-fluoro-4-pyridinyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137291629
5-chloro-4-(2,6-diazaspiro[4.5]decan-2-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 137291466
5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137289020
5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 155217225

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 137291463) is 5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccncc2)nc(N2CCC3(CC2)COC3)c1Cl.
What is the InChIKey of 5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is ITFLUHVMBQWIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-12-14(21-7-3-16(4-8-21)9-23-10-16)19-13(20-15(12)22)11-1-5-18-6-2-11/h1-2,5-6H,3-4,7-10H2,(H,19,20,22).
What are the key properties of 5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 332.79 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137291463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).