N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

C17H16N4O — CID 57410358

IUPACN-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCn1cc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1
InChIInChI=1S/C17H16N4O/c1-21-10-15(9-19-21)12-4-5-13-7-16(18-8-14(13)6-12)20-17(22)11-2-3-11/h4-11H,2-3H2,1H3,(H,18,20,22)
InChIKeyHSXOFYJETFEUAF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.98
Rot. Bonds3

About N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 57410358) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID57410358
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCn1cc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1
InChIInChI=1S/C17H16N4O/c1-21-10-15(9-19-21)12-4-5-13-7-16(18-8-14(13)6-12)20-17(22)11-2-3-11/h4-11H,2-3H2,1H3,(H,18,20,22)
InChIKeyHSXOFYJETFEUAF-UHFFFAOYSA-N
XLogP2.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 57410358) is N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is Cn1cc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1.
What is the InChIKey of N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is HSXOFYJETFEUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21-10-15(9-19-21)12-4-5-13-7-16(18-8-14(13)6-12)20-17(22)11-2-3-11/h4-11H,2-3H2,1H3,(H,18,20,22).
What are the key properties of N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57410358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).