3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid

C19H20N4O5 — CID 119196288

IUPAC3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)Nc1cc(C(=O)O)ccc1OC(C)C
InChIInChI=1S/C19H20N4O5/c1-10(2)28-15-5-4-12(19(26)27)8-14(15)22-17(24)9-13-11(3)21-16-6-7-20-23(16)18(13)25/h4-8,10,20H,9H2,1-3H3,(H,22,24)(H,26,27)
InChIKeyJFRXUEYEJZHOPE-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.00
Rot. Bonds6

About 3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid

3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid (PubChem CID 119196288) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
PubChem CID119196288
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
SMILESCc1nc2cc[nH]n2c(=O)c1CC(=O)Nc1cc(C(=O)O)ccc1OC(C)C
InChIInChI=1S/C19H20N4O5/c1-10(2)28-15-5-4-12(19(26)27)8-14(15)22-17(24)9-13-11(3)21-16-6-7-20-23(16)18(13)25/h4-8,10,20H,9H2,1-3H3,(H,22,24)(H,26,27)
InChIKeyJFRXUEYEJZHOPE-UHFFFAOYSA-N
XLogP2.00
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(2,6-dimethylphenyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686173
(2S)-4-methyl-2-[[2-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetyl]amino]pentanoic acid
CID 120695761
3-[[2-(3-methylbutylsulfanyl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196463
3-[[2-(4-methylphenoxy)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196498
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 111102305
N-[4-(diethylsulfamoyl)phenyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 167969425
3-[(4-oxo-4-phenylbutanoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196561
3-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-4-propan-2-yloxybenzoic acid
CID 120686170
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196374
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl)acetamide
CID 75455469
3-[3-(4-methylpentan-2-yloxy)propanoylamino]-4-propan-2-yloxybenzoic acid
CID 119196415
2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-phenylbutanoyl)piperidin-4-yl]acetamide
CID 138997643

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid?
The IUPAC name of 3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid (CID 119196288) is 3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid is Cc1nc2cc[nH]n2c(=O)c1CC(=O)Nc1cc(C(=O)O)ccc1OC(C)C.
What is the InChIKey of 3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid?
The InChIKey is JFRXUEYEJZHOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-10(2)28-15-5-4-12(19(26)27)8-14(15)22-17(24)9-13-11(3)21-16-6-7-20-23(16)18(13)25/h4-8,10,20H,9H2,1-3H3,(H,22,24)(H,26,27).
What are the key properties of 3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid?
3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid has a molecular weight of 384.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-4-propan-2-yloxybenzoic acid is sourced from PubChem (CID 119196288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).