4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one

C32H33FN6O3 — CID 175783052

IUPAC4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1c(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOCC4c4ccc(F)cc4)c3c2)ccn(C)c1=O
InChIInChI=1S/C32H33FN6O3/c1-20-25(11-12-37(4)31(20)40)22-7-10-27-26(15-22)30(36-29(35-27)23-16-34-38(17-23)19-32(2,3)41)39-13-14-42-18-28(39)21-5-8-24(33)9-6-21/h5-12,15-17,28,41H,13-14,18-19H2,1-4H3
InChIKeyAKSUFCLFRWSCBB-UHFFFAOYSA-N
MW568.65 g/mol
LogP4.66
Rot. Bonds6

About 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one

4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 175783052) has the molecular formula C32H33FN6O3 and a molecular weight of 568.65 g/mol. Its IUPAC name is 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
PubChem CID175783052
Molecular FormulaC32H33FN6O3
Molecular Weight568.65 g/mol
Exact Mass568.26
IUPAC Name4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1c(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOCC4c4ccc(F)cc4)c3c2)ccn(C)c1=O
InChIInChI=1S/C32H33FN6O3/c1-20-25(11-12-37(4)31(20)40)22-7-10-27-26(15-22)30(36-29(35-27)23-16-34-38(17-23)19-32(2,3)41)39-13-14-42-18-28(39)21-5-8-24(33)9-6-21/h5-12,15-17,28,41H,13-14,18-19H2,1-4H3
InChIKeyAKSUFCLFRWSCBB-UHFFFAOYSA-N
XLogP4.66
TPSA98.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.65
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one (CID 175783052) is 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one is Cc1c(-c2ccc3nc(-c4cnn(CC(C)(C)O)c4)nc(N4CCOCC4c4ccc(F)cc4)c3c2)ccn(C)c1=O.
What is the InChIKey of 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is AKSUFCLFRWSCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN6O3/c1-20-25(11-12-37(4)31(20)40)22-7-10-27-26(15-22)30(36-29(35-27)23-16-34-38(17-23)19-32(2,3)41)39-13-14-42-18-28(39)21-5-8-24(33)9-6-21/h5-12,15-17,28,41H,13-14,18-19H2,1-4H3.
What are the key properties of 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one?
4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 568.65 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-fluorophenyl)morpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 175783052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).