6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid

C20H21ClN4O6 — CID 155972217

IUPAC6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid
SMILESCc1cc2ncc(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3Cl)c(=O)n2[nH]1.O=CO
InChIInChI=1S/C19H19ClN4O4.CH2O2/c1-11-8-16-21-9-13(19(27)24(16)22-11)18(26)23-6-7-28-15(10-25)17(23)12-4-2-3-5-14(12)20;2-1-3/h2-5,8-9,15,17,22,25H,6-7,10H2,1H3;1H,(H,2,3)/t15-,17-;/m0./s1
InChIKeyCRHGXKVOWFAXRG-NBLXOJGSSA-N
MW448.86 g/mol
LogP1.26
Rot. Bonds3

About 6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid

6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid (PubChem CID 155972217) has the molecular formula C20H21ClN4O6 and a molecular weight of 448.86 g/mol. Its IUPAC name is 6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid.

Molecular Properties

Compound Name6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid
PubChem CID155972217
Molecular FormulaC20H21ClN4O6
Molecular Weight448.86 g/mol
Exact Mass448.11
IUPAC Name6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid
SMILESCc1cc2ncc(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3Cl)c(=O)n2[nH]1.O=CO
InChIInChI=1S/C19H19ClN4O4.CH2O2/c1-11-8-16-21-9-13(19(27)24(16)22-11)18(26)23-6-7-28-15(10-25)17(23)12-4-2-3-5-14(12)20;2-1-3/h2-5,8-9,15,17,22,25H,6-7,10H2,1H3;1H,(H,2,3)/t15-,17-;/m0./s1
InChIKeyCRHGXKVOWFAXRG-NBLXOJGSSA-N
XLogP1.26
TPSA137.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.86
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid 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-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155508906
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(1,2-dimethylpyrrol-3-yl)methanone
CID 155915720
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
CID 157018822
6-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155494633
2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 157012573
[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 155498562
1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 155496867
1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 155919651
1-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholin-4-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone
CID 157015040
[(2R,3S)-3-(2-chlorophenyl)-4-[(4-methylphenyl)methyl]morpholin-2-yl]methanol
CID 155917841
6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70772515
(5aS,8aS)-5-methyl-7-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,3,5a,6,8,8a-hexahydropyrrolo[3,4-b][1,4]oxazepin-4-one;formic acid
CID 163333954

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid?
The IUPAC name of 6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid (CID 155972217) is 6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid.
What is the SMILES notation for 6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid?
The canonical SMILES for 6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid is Cc1cc2ncc(C(=O)N3CCO[C@@H](CO)[C@@H]3c3ccccc3Cl)c(=O)n2[nH]1.O=CO.
What is the InChIKey of 6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid?
The InChIKey is CRHGXKVOWFAXRG-NBLXOJGSSA-N. The full InChI is InChI=1S/C19H19ClN4O4.CH2O2/c1-11-8-16-21-9-13(19(27)24(16)22-11)18(26)23-6-7-28-15(10-25)17(23)12-4-2-3-5-14(12)20;2-1-3/h2-5,8-9,15,17,22,25H,6-7,10H2,1H3;1H,(H,2,3)/t15-,17-;/m0./s1.
What are the key properties of 6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid?
6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid has a molecular weight of 448.86 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3S)-3-(2-chlorophenyl)-2-(hydroxymethyl)morpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;formic acid is sourced from PubChem (CID 155972217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).