1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

C22H26N4O2 — CID 3245227

IUPAC1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C22H26N4O2/c1-15-19(9-10-20(27)25-11-13-28-14-12-25)17(3)26-22(23-15)21(16(2)24-26)18-7-5-4-6-8-18/h4-8H,9-14H2,1-3H3
InChIKeyZKSULNHWQCLGLE-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.11
Rot. Bonds4

About 1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one (PubChem CID 3245227) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
PubChem CID3245227
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCOCC1
InChIInChI=1S/C22H26N4O2/c1-15-19(9-10-20(27)25-11-13-28-14-12-25)17(3)26-22(23-15)21(16(2)24-26)18-7-5-4-6-8-18/h4-8H,9-14H2,1-3H3
InChIKeyZKSULNHWQCLGLE-UHFFFAOYSA-N
XLogP3.11
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one (CID 3245227) is 1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one is Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The InChIKey is ZKSULNHWQCLGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-19(9-10-20(27)25-11-13-28-14-12-25)17(3)26-22(23-15)21(16(2)24-26)18-7-5-4-6-8-18/h4-8H,9-14H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one has a molecular weight of 378.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 3245227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).