1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid

C25H28N6O3 — CID 146216100

IUPAC1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)cc(N4CCOCC4)n3n2)CC1
InChIInChI=1S/C25H28N6O3/c32-25(33)17-5-8-29(9-6-17)16-18-14-23-27-22(19-2-1-3-21-20(19)4-7-26-21)15-24(31(23)28-18)30-10-12-34-13-11-30/h1-4,7,14-15,17,26H,5-6,8-13,16H2,(H,32,33)
InChIKeyJSEZUYNNTHFTFJ-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.01
Rot. Bonds5

About 1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid

1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 146216100) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID146216100
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)cc(N4CCOCC4)n3n2)CC1
InChIInChI=1S/C25H28N6O3/c32-25(33)17-5-8-29(9-6-17)16-18-14-23-27-22(19-2-1-3-21-20(19)4-7-26-21)15-24(31(23)28-18)30-10-12-34-13-11-30/h1-4,7,14-15,17,26H,5-6,8-13,16H2,(H,32,33)
InChIKeyJSEZUYNNTHFTFJ-UHFFFAOYSA-N
XLogP3.01
TPSA98.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid (CID 146216100) is 1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)cc(N4CCOCC4)n3n2)CC1.
What is the InChIKey of 1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is JSEZUYNNTHFTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c32-25(33)17-5-8-29(9-6-17)16-18-14-23-27-22(19-2-1-3-21-20(19)4-7-26-21)15-24(31(23)28-18)30-10-12-34-13-11-30/h1-4,7,14-15,17,26H,5-6,8-13,16H2,(H,32,33).
What are the key properties of 1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid?
1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 460.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 146216100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).