3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid

C19H26N4O3 — CID 175378482

IUPAC3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid
SMILESCC(=O)c1c(C)nn2c(C3CCCN(C(=O)O)C3C(C)(C)C)ccnc12
InChIInChI=1S/C19H26N4O3/c1-11-15(12(2)24)17-20-9-8-14(23(17)21-11)13-7-6-10-22(18(25)26)16(13)19(3,4)5/h8-9,13,16H,6-7,10H2,1-5H3,(H,25,26)
InChIKeyPFFNNVVGAZKNSC-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.51
Rot. Bonds2

About 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid

3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid (PubChem CID 175378482) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid
PubChem CID175378482
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid
SMILESCC(=O)c1c(C)nn2c(C3CCCN(C(=O)O)C3C(C)(C)C)ccnc12
InChIInChI=1S/C19H26N4O3/c1-11-15(12(2)24)17-20-9-8-14(23(17)21-11)13-7-6-10-22(18(25)26)16(13)19(3,4)5/h8-9,13,16H,6-7,10H2,1-5H3,(H,25,26)
InChIKeyPFFNNVVGAZKNSC-UHFFFAOYSA-N
XLogP3.51
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid?
The IUPAC name of 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid (CID 175378482) is 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid is CC(=O)c1c(C)nn2c(C3CCCN(C(=O)O)C3C(C)(C)C)ccnc12.
What is the InChIKey of 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid?
The InChIKey is PFFNNVVGAZKNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-11-15(12(2)24)17-20-9-8-14(23(17)21-11)13-7-6-10-22(18(25)26)16(13)19(3,4)5/h8-9,13,16H,6-7,10H2,1-5H3,(H,25,26).
What are the key properties of 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid?
3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2-tert-butylpiperidine-1-carboxylic acid is sourced from PubChem (CID 175378482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).