6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C24H25N5O2 — CID 134307404

IUPAC6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cn1
InChIInChI=1S/C24H25N5O2/c1-16-20(18-11-12-19(31-2)25-15-18)24(30)29-23(26-16)22(28-13-7-4-8-14-28)21(27-29)17-9-5-3-6-10-17/h3,5-6,9-12,15,27H,4,7-8,13-14H2,1-2H3
InChIKeyHIEUFFLSDXUMRK-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.06
Rot. Bonds4

About 6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307404) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307404
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cn1
InChIInChI=1S/C24H25N5O2/c1-16-20(18-11-12-19(31-2)25-15-18)24(30)29-23(26-16)22(28-13-7-4-8-14-28)21(27-29)17-9-5-3-6-10-17/h3,5-6,9-12,15,27H,4,7-8,13-14H2,1-2H3
InChIKeyHIEUFFLSDXUMRK-UHFFFAOYSA-N
XLogP4.06
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307404) is 6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(C)nc3c(N4CCCCC4)c(-c4ccccc4)[nH]n3c2=O)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HIEUFFLSDXUMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-20(18-11-12-19(31-2)25-15-18)24(30)29-23(26-16)22(28-13-7-4-8-14-28)21(27-29)17-9-5-3-6-10-17/h3,5-6,9-12,15,27H,4,7-8,13-14H2,1-2H3.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 415.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-5-methyl-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).