1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one

C24H26N6O — CID 170419933

IUPAC1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one
SMILESCCC(=O)c1nn2c(-c3cn[nH]c3)cc(N3Cc4ccc(C)cc4C3)nc2c1C(C)C
InChIInChI=1S/C24H26N6O/c1-5-20(31)23-22(14(2)3)24-27-21(9-19(30(24)28-23)18-10-25-26-11-18)29-12-16-7-6-15(4)8-17(16)13-29/h6-11,14H,5,12-13H2,1-4H3,(H,25,26)
InChIKeyYUXJGJVJMWVSOT-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.66
Rot. Bonds5

About 1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one

1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one (PubChem CID 170419933) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one
PubChem CID170419933
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one
SMILESCCC(=O)c1nn2c(-c3cn[nH]c3)cc(N3Cc4ccc(C)cc4C3)nc2c1C(C)C
InChIInChI=1S/C24H26N6O/c1-5-20(31)23-22(14(2)3)24-27-21(9-19(30(24)28-23)18-10-25-26-11-18)29-12-16-7-6-15(4)8-17(16)13-29/h6-11,14H,5,12-13H2,1-4H3,(H,25,26)
InChIKeyYUXJGJVJMWVSOT-UHFFFAOYSA-N
XLogP4.66
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one?
The IUPAC name of 1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one (CID 170419933) is 1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one is CCC(=O)c1nn2c(-c3cn[nH]c3)cc(N3Cc4ccc(C)cc4C3)nc2c1C(C)C.
What is the InChIKey of 1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one?
The InChIKey is YUXJGJVJMWVSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-5-20(31)23-22(14(2)3)24-27-21(9-19(30(24)28-23)18-10-25-26-11-18)29-12-16-7-6-15(4)8-17(16)13-29/h6-11,14H,5,12-13H2,1-4H3,(H,25,26).
What are the key properties of 1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one?
1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one has a molecular weight of 414.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-1,3-dihydroisoindol-2-yl)-3-propan-2-yl-7-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one is sourced from PubChem (CID 170419933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).