4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid

C25H26N6O4 — CID 56849068

IUPAC4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid
SMILESCOC1(C(=O)O)CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N)c2C(C)=O)CC1
InChIInChI=1S/C25H26N6O4/c1-15(32)20-21(16-8-10-25(35-2,11-9-16)24(33)34)29-23-19(13-28-31(23)22(20)26)17-12-27-30(14-17)18-6-4-3-5-7-18/h3-7,12-14,16H,8-11,26H2,1-2H3,(H,33,34)
InChIKeyXEAIPFWOHAHUOQ-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.49
Rot. Bonds6

About 4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid

4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid (PubChem CID 56849068) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid
PubChem CID56849068
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid
SMILESCOC1(C(=O)O)CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N)c2C(C)=O)CC1
InChIInChI=1S/C25H26N6O4/c1-15(32)20-21(16-8-10-25(35-2,11-9-16)24(33)34)29-23-19(13-28-31(23)22(20)26)17-12-27-30(14-17)18-6-4-3-5-7-18/h3-7,12-14,16H,8-11,26H2,1-2H3,(H,33,34)
InChIKeyXEAIPFWOHAHUOQ-UHFFFAOYSA-N
XLogP3.49
TPSA137.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid (CID 56849068) is 4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid is COC1(C(=O)O)CCC(c2nc3c(-c4cnn(-c5ccccc5)c4)cnn3c(N)c2C(C)=O)CC1.
What is the InChIKey of 4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid?
The InChIKey is XEAIPFWOHAHUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-15(32)20-21(16-8-10-25(35-2,11-9-16)24(33)34)29-23-19(13-28-31(23)22(20)26)17-12-27-30(14-17)18-6-4-3-5-7-18/h3-7,12-14,16H,8-11,26H2,1-2H3,(H,33,34).
What are the key properties of 4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid?
4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid has a molecular weight of 474.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 56849068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).