3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide

C24H27N5O5 — CID 6723161

IUPAC3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1cc(-c2ccccc2)[nH]n1)c1cc(O)cc(CN2CCOCC2)c1
InChIInChI=1S/C24H27N5O5/c30-15-21(24(33)26-22-13-20(27-28-22)17-4-2-1-3-5-17)25-23(32)18-10-16(11-19(31)12-18)14-29-6-8-34-9-7-29/h1-5,10-13,21,30-31H,6-9,14-15H2,(H,25,32)(H2,26,27,28,33)/t21-/m0/s1
InChIKeyRFSAWAGYMCNMCZ-NRFANRHFSA-N
MW465.51 g/mol
LogP1.34
Rot. Bonds8

About 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide

3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide (PubChem CID 6723161) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide
PubChem CID6723161
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC Name3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1cc(-c2ccccc2)[nH]n1)c1cc(O)cc(CN2CCOCC2)c1
InChIInChI=1S/C24H27N5O5/c30-15-21(24(33)26-22-13-20(27-28-22)17-4-2-1-3-5-17)25-23(32)18-10-16(11-19(31)12-18)14-29-6-8-34-9-7-29/h1-5,10-13,21,30-31H,6-9,14-15H2,(H,25,32)(H2,26,27,28,33)/t21-/m0/s1
InChIKeyRFSAWAGYMCNMCZ-NRFANRHFSA-N
XLogP1.34
TPSA139.81 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 51.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide (CID 6723161) is 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide is O=C(N[C@@H](CO)C(=O)Nc1cc(-c2ccccc2)[nH]n1)c1cc(O)cc(CN2CCOCC2)c1.
What is the InChIKey of 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide?
The InChIKey is RFSAWAGYMCNMCZ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N5O5/c30-15-21(24(33)26-22-13-20(27-28-22)17-4-2-1-3-5-17)25-23(32)18-10-16(11-19(31)12-18)14-29-6-8-34-9-7-29/h1-5,10-13,21,30-31H,6-9,14-15H2,(H,25,32)(H2,26,27,28,33)/t21-/m0/s1.
What are the key properties of 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide?
3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide has a molecular weight of 465.51 g/mol, XLogP of 1.34, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 6723161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).