1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide

C27H22N7O- — CID 144514854

IUPAC1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide
SMILESCC([N-]c1ccnc2ccnn12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C27H22N7O/c1-18(31-25-11-13-28-24-12-14-29-34(24)25)23-15-19-7-6-10-22(20-16-30-32(2)17-20)26(19)27(35)33(23)21-8-4-3-5-9-21/h3-18H,1-2H3/q-1
InChIKeyKKCQWRYCKGUTMU-UHFFFAOYSA-N
MW460.52 g/mol
LogP5.20
Rot. Bonds5

About 1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide

1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide (PubChem CID 144514854) has the molecular formula C27H22N7O- and a molecular weight of 460.52 g/mol. Its IUPAC name is 1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide.

Molecular Properties

Compound Name1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide
PubChem CID144514854
Molecular FormulaC27H22N7O-
Molecular Weight460.52 g/mol
Exact Mass460.19
IUPAC Name1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide
SMILESCC([N-]c1ccnc2ccnn12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C27H22N7O/c1-18(31-25-11-13-28-24-12-14-29-34(24)25)23-15-19-7-6-10-22(20-16-30-32(2)17-20)26(19)27(35)33(23)21-8-4-3-5-9-21/h3-18H,1-2H3/q-1
InChIKeyKKCQWRYCKGUTMU-UHFFFAOYSA-N
XLogP5.20
TPSA84.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide 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 1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide?
The IUPAC name of 1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide (CID 144514854) is 1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide.
What is the SMILES notation for 1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide?
The canonical SMILES for 1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide is CC([N-]c1ccnc2ccnn12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide?
The InChIKey is KKCQWRYCKGUTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N7O/c1-18(31-25-11-13-28-24-12-14-29-34(24)25)23-15-19-7-6-10-22(20-16-30-32(2)17-20)26(19)27(35)33(23)21-8-4-3-5-9-21/h3-18H,1-2H3/q-1.
What are the key properties of 1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide?
1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide has a molecular weight of 460.52 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl-pyrazolo[1,5-a]pyrimidin-7-ylazanide is sourced from PubChem (CID 144514854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).