6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H25N5O3 — CID 155508906

IUPAC6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCO[C@@H](CN(C)C)[C@@H]3c3ccccc3)c(=O)n2[nH]1
InChIInChI=1S/C21H25N5O3/c1-14-11-18-22-12-16(21(28)26(18)23-14)20(27)25-9-10-29-17(13-24(2)3)19(25)15-7-5-4-6-8-15/h4-8,11-12,17,19,23H,9-10,13H2,1-3H3/t17-,19-/m0/s1
InChIKeyBAVMCYYHQGYESH-HKUYNNGSSA-N
MW395.46 g/mol
LogP1.47
Rot. Bonds4

About 6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155508906) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155508906
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCO[C@@H](CN(C)C)[C@@H]3c3ccccc3)c(=O)n2[nH]1
InChIInChI=1S/C21H25N5O3/c1-14-11-18-22-12-16(21(28)26(18)23-14)20(27)25-9-10-29-17(13-24(2)3)19(25)15-7-5-4-6-8-15/h4-8,11-12,17,19,23H,9-10,13H2,1-3H3/t17-,19-/m0/s1
InChIKeyBAVMCYYHQGYESH-HKUYNNGSSA-N
XLogP1.47
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 155494431
(2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone
CID 155495074
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
[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
CID 155506426
2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 157012573
6-[2-(4-fluorophenyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70772515
(2-chloro-5-methylphenyl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 155508291
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 155504668
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 155492694
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 155502029
6-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98350659

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155508906) is 6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCO[C@@H](CN(C)C)[C@@H]3c3ccccc3)c(=O)n2[nH]1.
What is the InChIKey of 6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BAVMCYYHQGYESH-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-11-18-22-12-16(21(28)26(18)23-14)20(27)25-9-10-29-17(13-24(2)3)19(25)15-7-5-4-6-8-15/h4-8,11-12,17,19,23H,9-10,13H2,1-3H3/t17-,19-/m0/s1.
What are the key properties of 6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 395.46 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholine-4-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155508906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).