N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide

C22H24N4O2 — CID 71115127

IUPACN-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1cnn(C2CCCCO2)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C22H24N4O2/c1-14-12-24-26(20-4-2-3-9-28-20)21(14)17-8-7-16-11-19(23-13-18(16)10-17)25-22(27)15-5-6-15/h7-8,10-13,15,20H,2-6,9H2,1H3,(H,23,25,27)
InChIKeyLGSZMVTYWJZMSI-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.45
Rot. Bonds4

About N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 71115127) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID71115127
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1cnn(C2CCCCO2)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C22H24N4O2/c1-14-12-24-26(20-4-2-3-9-28-20)21(14)17-8-7-16-11-19(23-13-18(16)10-17)25-22(27)15-5-6-15/h7-8,10-13,15,20H,2-6,9H2,1H3,(H,23,25,27)
InChIKeyLGSZMVTYWJZMSI-UHFFFAOYSA-N
XLogP4.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]oxolane-2-carboxamide
CID 57411209
3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methyl-N-(oxan-4-yl)benzamide
CID 67975023
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115252
N-[7-(6-formyl-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 86674946
N-[7-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115120
N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974995
N-[7-[2-methyl-5-[2-(1-methylpyrazol-4-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 147440905
N-[7-[2-methyl-5-[2-(oxetan-3-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 157073659

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide (CID 71115127) is N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide is Cc1cnn(C2CCCCO2)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is LGSZMVTYWJZMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-12-24-26(20-4-2-3-9-28-20)21(14)17-8-7-16-11-19(23-13-18(16)10-17)25-22(27)15-5-6-15/h7-8,10-13,15,20H,2-6,9H2,1H3,(H,23,25,27).
What are the key properties of N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).