2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid

C24H33N7O4 — CID 137026306

IUPAC2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(c2cc(=O)[nH]c3c(-c4nnc(CN5CCCCC5)o4)cnn23)CCN1C(=O)O
InChIInChI=1S/C24H33N7O4/c1-24(2,3)18-11-15(7-10-30(18)23(33)34)17-12-19(32)26-21-16(13-25-31(17)21)22-28-27-20(35-22)14-29-8-5-4-6-9-29/h12-13,15,18H,4-11,14H2,1-3H3,(H,26,32)(H,33,34)
InChIKeyYEFHGMOCINNNKA-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.33
Rot. Bonds4

About 2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid

2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid (PubChem CID 137026306) has the molecular formula C24H33N7O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
PubChem CID137026306
Molecular FormulaC24H33N7O4
Molecular Weight483.57 g/mol
Exact Mass483.26
IUPAC Name2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(c2cc(=O)[nH]c3c(-c4nnc(CN5CCCCC5)o4)cnn23)CCN1C(=O)O
InChIInChI=1S/C24H33N7O4/c1-24(2,3)18-11-15(7-10-30(18)23(33)34)17-12-19(32)26-21-16(13-25-31(17)21)22-28-27-20(35-22)14-29-8-5-4-6-9-29/h12-13,15,18H,4-11,14H2,1-3H3,(H,26,32)(H,33,34)
InChIKeyYEFHGMOCINNNKA-UHFFFAOYSA-N
XLogP3.33
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

US10118930, Example 282
CID 137018426
US10118930, Example 165
CID 137018489
US10118930, Example 281
CID 137018733
US10118930, Example 291
CID 137018734
US10118930, Example 292
CID 137018742
tert-butyl 4-[5-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137025970
2-tert-butyl-4-[5-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
CID 137026230
tert-butyl 4-[3-[5-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137018253
tert-butyl 4-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137018437
tert-butyl 4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137018442
tert-butyl 4-[3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137025759
tert-butyl 4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137025777

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid (CID 137026306) is 2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid is CC(C)(C)C1CC(c2cc(=O)[nH]c3c(-c4nnc(CN5CCCCC5)o4)cnn23)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid?
The InChIKey is YEFHGMOCINNNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O4/c1-24(2,3)18-11-15(7-10-30(18)23(33)34)17-12-19(32)26-21-16(13-25-31(17)21)22-28-27-20(35-22)14-29-8-5-4-6-9-29/h12-13,15,18H,4-11,14H2,1-3H3,(H,26,32)(H,33,34).
What are the key properties of 2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid?
2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid has a molecular weight of 483.57 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[5-oxo-3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 137026306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).