5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one

C32H34N6O3 — CID 155235213

IUPAC5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)cn(C)c1=O
InChIInChI=1S/C32H34N6O3/c1-21-14-24(17-36(4)31(21)39)23-10-11-27-26(15-23)30(38-12-13-41-19-28(38)22-8-6-5-7-9-22)35-29(34-27)25-16-33-37(18-25)20-32(2,3)40/h5-11,14-18,28,40H,12-13,19-20H2,1-4H3/t28-/m1/s1
InChIKeyGPPKJVFEIRYRLZ-MUUNZHRXSA-N
MW550.66 g/mol
LogP4.52
Rot. Bonds6

About 5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one

5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 155235213) has the molecular formula C32H34N6O3 and a molecular weight of 550.66 g/mol. Its IUPAC name is 5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
PubChem CID155235213
Molecular FormulaC32H34N6O3
Molecular Weight550.66 g/mol
Exact Mass550.27
IUPAC Name5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)cn(C)c1=O
InChIInChI=1S/C32H34N6O3/c1-21-14-24(17-36(4)31(21)39)23-10-11-27-26(15-23)30(38-12-13-41-19-28(38)22-8-6-5-7-9-22)35-29(34-27)25-16-33-37(18-25)20-32(2,3)40/h5-11,14-18,28,40H,12-13,19-20H2,1-4H3/t28-/m1/s1
InChIKeyGPPKJVFEIRYRLZ-MUUNZHRXSA-N
XLogP4.52
TPSA98.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.66
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
CID 129166183
4-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155235073
5-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
CID 155235075
5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
CID 155714979
4-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 164616684
5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3R)-3-thiophen-2-ylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
CID 162646337
5-[4-[(3S)-3-(4-chlorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
CID 162648411
5-[4-[(3S)-3-cyclohexylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
CID 162662325
5-[4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
CID 162672143
[(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71565953
US10172859, Example 197
CID 118954976
US12053473, Example I-219
CID 155535159

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one (CID 155235213) is 5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOC[C@@H]4c4ccccc4)c3c2)cn(C)c1=O.
What is the InChIKey of 5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is GPPKJVFEIRYRLZ-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H34N6O3/c1-21-14-24(17-36(4)31(21)39)23-10-11-27-26(15-23)30(38-12-13-41-19-28(38)22-8-6-5-7-9-22)35-29(34-27)25-16-33-37(18-25)20-32(2,3)40/h5-11,14-18,28,40H,12-13,19-20H2,1-4H3/t28-/m1/s1.
What are the key properties of 5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?
5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 550.66 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 155235213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).