5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H27N5O2 — CID 134308110

IUPAC5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1N1CCOCC1
InChIInChI=1S/C22H27N5O2/c1-16-19(26-12-14-29-15-13-26)22(28)27-21(23-16)20(25-10-6-3-7-11-25)18(24-27)17-8-4-2-5-9-17/h2,4-5,8-9,24H,3,6-7,10-15H2,1H3
InChIKeyDBVMQFQPXSGVFA-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.82
Rot. Bonds3

About 5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134308110) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134308110
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1N1CCOCC1
InChIInChI=1S/C22H27N5O2/c1-16-19(26-12-14-29-15-13-26)22(28)27-21(23-16)20(25-10-6-3-7-11-25)18(24-27)17-8-4-2-5-9-17/h2,4-5,8-9,24H,3,6-7,10-15H2,1H3
InChIKeyDBVMQFQPXSGVFA-UHFFFAOYSA-N
XLogP2.82
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134308110) is 5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(N3CCCCC3)c(-c3ccccc3)[nH]n2c(=O)c1N1CCOCC1.
What is the InChIKey of 5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DBVMQFQPXSGVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16-19(26-12-14-29-15-13-26)22(28)27-21(23-16)20(25-10-6-3-7-11-25)18(24-27)17-8-4-2-5-9-17/h2,4-5,8-9,24H,3,6-7,10-15H2,1H3.
What are the key properties of 5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 393.49 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-morpholin-4-yl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134308110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).