7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid

C15H18N4O3 — CID 167753096

IUPAC7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnc2nc(N3CC(CO)CC34CCC4)ccn12
InChIInChI=1S/C15H18N4O3/c20-9-10-6-15(3-1-4-15)19(8-10)12-2-5-18-11(13(21)22)7-16-14(18)17-12/h2,5,7,10,20H,1,3-4,6,8-9H2,(H,21,22)
InChIKeyNFCBUEFWVDKPJE-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.17
Rot. Bonds3

About 7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid

7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 167753096) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID167753096
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnc2nc(N3CC(CO)CC34CCC4)ccn12
InChIInChI=1S/C15H18N4O3/c20-9-10-6-15(3-1-4-15)19(8-10)12-2-5-18-11(13(21)22)7-16-14(18)17-12/h2,5,7,10,20H,1,3-4,6,8-9H2,(H,21,22)
InChIKeyNFCBUEFWVDKPJE-UHFFFAOYSA-N
XLogP1.17
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid with MolForge

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Related Compounds

5-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxylic acid
CID 167885370
7-morpholin-4-ylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 56648965
6-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]-N-methyl-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 167922816
7-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 55265824
9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid
CID 115044613
N-[5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[3.5]nonan-8-yl]propanamide
CID 167767988
1-(oxetan-2-ylmethyl)imidazo[1,2-a]imidazole-5-carboxylic acid
CID 175848590
methyl 7-[(1-ethylpiperidin-2-yl)methylamino]imidazo[1,2-a]pyrimidine-3-carboxylate
CID 126820911
2-chloro-4-[[6-(hydroxymethyl)spiro[3.3]heptan-2-yl]amino]pyrimidine-5-carboxylic acid
CID 156776378
3-[6-(hydroxymethyl)-1,4-oxazepane-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 70734317
[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol
CID 80629932
7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 71563681

Frequently Asked Questions

What is the IUPAC name of 7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid (CID 167753096) is 7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnc2nc(N3CC(CO)CC34CCC4)ccn12.
What is the InChIKey of 7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is NFCBUEFWVDKPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-9-10-6-15(3-1-4-15)19(8-10)12-2-5-18-11(13(21)22)7-16-14(18)17-12/h2,5,7,10,20H,1,3-4,6,8-9H2,(H,21,22).
What are the key properties of 7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid?
7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(hydroxymethyl)-5-azaspiro[3.4]octan-5-yl]imidazo[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 167753096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).