5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H19ClN4O2 — CID 95554216

IUPAC5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN3CCO[C@@H](c4ccc(Cl)cc4)C3)cc(=O)n2[nH]1
InChIInChI=1S/C18H19ClN4O2/c1-12-8-17-20-15(9-18(24)23(17)21-12)10-22-6-7-25-16(11-22)13-2-4-14(19)5-3-13/h2-5,8-9,16,21H,6-7,10-11H2,1H3/t16-/m1/s1
InChIKeyFJJDDXSXPAEWLW-MRXNPFEDSA-N
MW358.83 g/mol
LogP2.56
Rot. Bonds3

About 5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 95554216) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID95554216
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN3CCO[C@@H](c4ccc(Cl)cc4)C3)cc(=O)n2[nH]1
InChIInChI=1S/C18H19ClN4O2/c1-12-8-17-20-15(9-18(24)23(17)21-12)10-22-6-7-25-16(11-22)13-2-4-14(19)5-3-13/h2-5,8-9,16,21H,6-7,10-11H2,1H3/t16-/m1/s1
InChIKeyFJJDDXSXPAEWLW-MRXNPFEDSA-N
XLogP2.56
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92853203
5-[[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98277430
2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 91841450
2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136844262
5-[[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 135103268
2-[2-(4-chlorophenyl)morpholin-4-yl]ethanethial
CID 87766572
3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855
2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132625
methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate
CID 56878101
2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 77271449
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 91836216

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 95554216) is 5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CN3CCO[C@@H](c4ccc(Cl)cc4)C3)cc(=O)n2[nH]1.
What is the InChIKey of 5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FJJDDXSXPAEWLW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-12-8-17-20-15(9-18(24)23(17)21-12)10-22-6-7-25-16(11-22)13-2-4-14(19)5-3-13/h2-5,8-9,16,21H,6-7,10-11H2,1H3/t16-/m1/s1.
What are the key properties of 5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 358.83 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 95554216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).