2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C18H21N5O2 — CID 137049255

IUPAC2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=C(c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1)N1CCC2(CC1)CC2
InChIInChI=1S/C18H21N5O2/c24-15-13-2-1-3-14(13)20-17(21-15)23-11-12(10-19-23)16(25)22-8-6-18(4-5-18)7-9-22/h10-11H,1-9H2,(H,20,21,24)
InChIKeyVQROJBPZCNAGSS-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.46
Rot. Bonds2

About 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137049255) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137049255
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=C(c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1)N1CCC2(CC1)CC2
InChIInChI=1S/C18H21N5O2/c24-15-13-2-1-3-14(13)20-17(21-15)23-11-12(10-19-23)16(25)22-8-6-18(4-5-18)7-9-22/h10-11H,1-9H2,(H,20,21,24)
InChIKeyVQROJBPZCNAGSS-UHFFFAOYSA-N
XLogP1.46
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Ethyl-2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]butanenitrile
CID 137049259
4-Ethyl-1-[1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidine-4-carbonitrile
CID 137049297
(2S)-2-[1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]butanenitrile
CID 137049441
2-[4-(6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049517
2-[5-Methyl-4-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049565
2-[5-Methyl-4-(4-propanoylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049663
1-[1-[5-Methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]cyclopropane-1-carbonitrile
CID 137049686
2-[4-(2,2-Difluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049023
2-[5-Methyl-4-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049025
2-[1-[5-Methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidin-4-yl]butanenitrile
CID 137049027
2-[4-(4-Methoxy-4-methylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049028
4-Methyl-1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperidine-4-carbonitrile
CID 137049055

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137049255) is 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=C(c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1)N1CCC2(CC1)CC2.
What is the InChIKey of 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is VQROJBPZCNAGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-15-13-2-1-3-14(13)20-17(21-15)23-11-12(10-19-23)16(25)22-8-6-18(4-5-18)7-9-22/h10-11H,1-9H2,(H,20,21,24).
What are the key properties of 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 339.40 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-azaspiro[2.5]octane-6-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137049255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).