formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H27N5O5 — CID 166598875

IUPACformic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCC[C@]4(CN(C)CC[C@@H]4O)C3)c(=O)n2[nH]1.O=CO
InChIInChI=1S/C18H25N5O3.CH2O2/c1-12-8-15-19-9-13(17(26)23(15)20-12)16(25)22-6-3-5-18(11-22)10-21(2)7-4-14(18)24;2-1-3/h8-9,14,20,24H,3-7,10-11H2,1-2H3;1H,(H,2,3)/t14-,18-;/m0./s1
InChIKeyFQMNTAZNAOCFMB-DJKAKHFESA-N
MW405.46 g/mol
LogP-0.05
Rot. Bonds1

About formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 166598875) has the molecular formula C19H27N5O5 and a molecular weight of 405.46 g/mol. Its IUPAC name is formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Nameformic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID166598875
Molecular FormulaC19H27N5O5
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC Nameformic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCC[C@]4(CN(C)CC[C@@H]4O)C3)c(=O)n2[nH]1.O=CO
InChIInChI=1S/C18H25N5O3.CH2O2/c1-12-8-15-19-9-13(17(26)23(15)20-12)16(25)22-6-3-5-18(11-22)10-21(2)7-4-14(18)24;2-1-3/h8-9,14,20,24H,3-7,10-11H2,1-2H3;1H,(H,2,3)/t14-,18-;/m0./s1
InChIKeyFQMNTAZNAOCFMB-DJKAKHFESA-N
XLogP-0.05
TPSA131.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-{[(3R*,5R*)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 70777490
6-[(3S,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 133113251
6-{[rel-(2R,4R)-4-hydroxy-2-isopropyl-1-oxa-9-azaspiro[5.5]undec-9-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 154570209
6-{[rel-(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propyl-1-piperidinyl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one formate
CID 155917060
formic acid;6-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155971801
6-[(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 163313674
6-{[rel-(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undec-2-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one formate
CID 165428406

Frequently Asked Questions

What is the IUPAC name of formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 166598875) is formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCC[C@]4(CN(C)CC[C@@H]4O)C3)c(=O)n2[nH]1.O=CO.
What is the InChIKey of formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FQMNTAZNAOCFMB-DJKAKHFESA-N. The full InChI is InChI=1S/C18H25N5O3.CH2O2/c1-12-8-15-19-9-13(17(26)23(15)20-12)16(25)22-6-3-5-18(11-22)10-21(2)7-4-14(18)24;2-1-3/h8-9,14,20,24H,3-7,10-11H2,1-2H3;1H,(H,2,3)/t14-,18-;/m0./s1.
What are the key properties of formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 405.46 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 166598875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).