4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine

C26H27ClN4O — CID 66964832

IUPAC4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine
SMILESCC(Cc1ccccc1)(CN1CCOCC1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C26H27ClN4O/c1-26(17-20-5-3-2-4-6-20,19-30-13-15-32-16-14-30)24-11-12-28-25-23(18-29-31(24)25)21-7-9-22(27)10-8-21/h2-12,18H,13-17,19H2,1H3
InChIKeyQYPXMBSBODYSQG-UHFFFAOYSA-N
MW446.98 g/mol
LogP4.88
Rot. Bonds6

About 4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine

4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine (PubChem CID 66964832) has the molecular formula C26H27ClN4O and a molecular weight of 446.98 g/mol. Its IUPAC name is 4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine
PubChem CID66964832
Molecular FormulaC26H27ClN4O
Molecular Weight446.98 g/mol
Exact Mass446.19
IUPAC Name4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine
SMILESCC(Cc1ccccc1)(CN1CCOCC1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C26H27ClN4O/c1-26(17-20-5-3-2-4-6-20,19-30-13-15-32-16-14-30)24-11-12-28-25-23(18-29-31(24)25)21-7-9-22(27)10-8-21/h2-12,18H,13-17,19H2,1H3
InChIKeyQYPXMBSBODYSQG-UHFFFAOYSA-N
XLogP4.88
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.98
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine?
The IUPAC name of 4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine (CID 66964832) is 4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine.
What is the SMILES notation for 4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine?
The canonical SMILES for 4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine is CC(Cc1ccccc1)(CN1CCOCC1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of 4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine?
The InChIKey is QYPXMBSBODYSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O/c1-26(17-20-5-3-2-4-6-20,19-30-13-15-32-16-14-30)24-11-12-28-25-23(18-29-31(24)25)21-7-9-22(27)10-8-21/h2-12,18H,13-17,19H2,1H3.
What are the key properties of 4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine?
4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine has a molecular weight of 446.98 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropyl]morpholine is sourced from PubChem (CID 66964832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).