2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid

C25H25N5O3 — CID 90926114

IUPAC2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
SMILESCC(=O)c1c(C2CCC(CC(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N
InChIInChI=1S/C25H25N5O3/c1-14(31)22-23(16-8-6-15(7-9-16)10-21(32)33)29-25-19(13-28-30(25)24(22)26)18-11-17-4-2-3-5-20(17)27-12-18/h2-5,11-13,15-16H,6-10,26H2,1H3,(H,32,33)
InChIKeyARBOCRVYPCSOCT-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.48
Rot. Bonds5

About 2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid

2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid (PubChem CID 90926114) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
PubChem CID90926114
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
SMILESCC(=O)c1c(C2CCC(CC(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N
InChIInChI=1S/C25H25N5O3/c1-14(31)22-23(16-8-6-15(7-9-16)10-21(32)33)29-25-19(13-28-30(25)24(22)26)18-11-17-4-2-3-5-20(17)27-12-18/h2-5,11-13,15-16H,6-10,26H2,1H3,(H,32,33)
InChIKeyARBOCRVYPCSOCT-UHFFFAOYSA-N
XLogP4.48
TPSA123.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid with MolForge

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Related Compounds

(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one
CID 70215542
4-[6-acetyl-7-amino-3-(2-methylthieno[3,2-b]pyridin-6-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 70216937
sodium 4-(6-acetyl-7-amino-3-thieno[2,3-b]pyridin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate
CID 140580321
3-quinolin-3-yl-5-(thian-4-yl)pyrazolo[1,5-a]pyrimidine-6,7-diamine
CID 70214137
1-[7-amino-5-(1,1-dioxothian-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanol
CID 70217054
6-bromo-3-quinolin-3-yl-5-[4-(2H-tetrazol-5-ylmethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 58173543
6-bromo-5-(1-methylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58173335
2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid
CID 58173413
1-[3-(6,7-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]ethanone
CID 91528092
1-[7-amino-5-(4-methoxycyclohexyl)-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;carbonic acid
CID 121408209
1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-[1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 70218680
1-[7-amino-5-[1-(oxane-4-carbonyl)piperidin-4-yl]-3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 90981790

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid (CID 90926114) is 2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid is CC(=O)c1c(C2CCC(CC(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.
What is the InChIKey of 2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The InChIKey is ARBOCRVYPCSOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-14(31)22-23(16-8-6-15(7-9-16)10-21(32)33)29-25-19(13-28-30(25)24(22)26)18-11-17-4-2-3-5-20(17)27-12-18/h2-5,11-13,15-16H,6-10,26H2,1H3,(H,32,33).
What are the key properties of 2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid has a molecular weight of 443.51 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid is sourced from PubChem (CID 90926114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).