N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide

C26H24N4O2 — CID 147440905

IUPACN-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)Cc2cnn(C)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C26H24N4O2/c1-16-3-4-21(24(31)9-17-13-28-30(2)15-17)11-23(16)20-8-7-19-12-25(27-14-22(19)10-20)29-26(32)18-5-6-18/h3-4,7-8,10-15,18H,5-6,9H2,1-2H3,(H,27,29,32)
InChIKeyDWEYCFSFYSRUMU-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.72
Rot. Bonds6

About N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 147440905) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID147440905
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)Cc2cnn(C)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C26H24N4O2/c1-16-3-4-21(24(31)9-17-13-28-30(2)15-17)11-23(16)20-8-7-19-12-25(27-14-22(19)10-20)29-26(32)18-5-6-18/h3-4,7-8,10-15,18H,5-6,9H2,1-2H3,(H,27,29,32)
InChIKeyDWEYCFSFYSRUMU-UHFFFAOYSA-N
XLogP4.72
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide (CID 147440905) is N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide is Cc1ccc(C(=O)Cc2cnn(C)c2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is DWEYCFSFYSRUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-16-3-4-21(24(31)9-17-13-28-30(2)15-17)11-23(16)20-8-7-19-12-25(27-14-22(19)10-20)29-26(32)18-5-6-18/h3-4,7-8,10-15,18H,5-6,9H2,1-2H3,(H,27,29,32).
What are the key properties of N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 147440905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).