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

C17H16N4O2 — CID 71115086

IUPACN-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide
SMILESCn1ccc(Oc2ccc3cc(NC(=O)C4CC4)ncc3c2)n1
InChIInChI=1S/C17H16N4O2/c1-21-7-6-16(20-21)23-14-5-4-12-9-15(18-10-13(12)8-14)19-17(22)11-2-3-11/h4-11H,2-3H2,1H3,(H,18,19,22)
InChIKeyKAZSYKHTMLHQIP-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.11
Rot. Bonds4

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

N-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 71115086) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID71115086
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide
SMILESCn1ccc(Oc2ccc3cc(NC(=O)C4CC4)ncc3c2)n1
InChIInChI=1S/C17H16N4O2/c1-21-7-6-16(20-21)23-14-5-4-12-9-15(18-10-13(12)8-14)19-17(22)11-2-3-11/h4-11H,2-3H2,1H3,(H,18,19,22)
InChIKeyKAZSYKHTMLHQIP-UHFFFAOYSA-N
XLogP3.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide (CID 71115086) is N-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide is Cn1ccc(Oc2ccc3cc(NC(=O)C4CC4)ncc3c2)n1.
What is the InChIKey of N-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is KAZSYKHTMLHQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21-7-6-16(20-21)23-14-5-4-12-9-15(18-10-13(12)8-14)19-17(22)11-2-3-11/h4-11H,2-3H2,1H3,(H,18,19,22).
What are the key properties of N-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-methylpyrazol-3-yl)oxyisoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).