4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid

C16H16N4O3S — CID 137025915

IUPAC4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cc(=O)[nH]c3c(-c4cccs4)cnn23)CC1
InChIInChI=1S/C16H16N4O3S/c21-14-8-12(10-3-5-19(6-4-10)16(22)23)20-15(18-14)11(9-17-20)13-2-1-7-24-13/h1-2,7-10H,3-6H2,(H,18,21)(H,22,23)
InChIKeyBTUXTXDWYUHYNY-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.61
Rot. Bonds2

About 4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid

4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid (PubChem CID 137025915) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid
PubChem CID137025915
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2cc(=O)[nH]c3c(-c4cccs4)cnn23)CC1
InChIInChI=1S/C16H16N4O3S/c21-14-8-12(10-3-5-19(6-4-10)16(22)23)20-15(18-14)11(9-17-20)13-2-1-7-24-13/h1-2,7-10H,3-6H2,(H,18,21)(H,22,23)
InChIKeyBTUXTXDWYUHYNY-UHFFFAOYSA-N
XLogP2.61
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

US10118930, Example 59
CID 137018249
US10118930, Example 25
CID 137018450
US10118930, Example 66
CID 137018486
US10118930, Example 68
CID 137018655
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18156032
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 71934228
2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136858585
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44543693
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-7-thiophen-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 135844021
5-(5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 137026147
N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86894056
7-hydroxy-3-thiophen-2-yl-6-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136325115

Frequently Asked Questions

What is the IUPAC name of 4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid (CID 137025915) is 4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2cc(=O)[nH]c3c(-c4cccs4)cnn23)CC1.
What is the InChIKey of 4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid?
The InChIKey is BTUXTXDWYUHYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c21-14-8-12(10-3-5-19(6-4-10)16(22)23)20-15(18-14)11(9-17-20)13-2-1-7-24-13/h1-2,7-10H,3-6H2,(H,18,21)(H,22,23).
What are the key properties of 4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid?
4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid has a molecular weight of 344.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxo-3-thiophen-2-yl-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 137025915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).