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

C20H16N4O — CID 57410849

IUPACN-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(-c3cccc4[nH]ncc34)cc2cn1)C1CC1
InChIInChI=1S/C20H16N4O/c25-20(12-4-5-12)23-19-9-13-6-7-14(8-15(13)10-21-19)16-2-1-3-18-17(16)11-22-24-18/h1-3,6-12H,4-5H2,(H,22,24)(H,21,23,25)
InChIKeyJKURHUYWRRJUSD-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.13
Rot. Bonds3

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

N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 57410849) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID57410849
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(-c3cccc4[nH]ncc34)cc2cn1)C1CC1
InChIInChI=1S/C20H16N4O/c25-20(12-4-5-12)23-19-9-13-6-7-14(8-15(13)10-21-19)16-2-1-3-18-17(16)11-22-24-18/h1-3,6-12H,4-5H2,(H,22,24)(H,21,23,25)
InChIKeyJKURHUYWRRJUSD-UHFFFAOYSA-N
XLogP4.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
(1R,2S)-1'-methyl-2-[3-[(E)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 58486297
1-[3-(6-methylpyridazin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044553
N-(8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 135342628
N-[6-(1H-indol-5-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539595
N-[6-(1H-pyrrol-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539608
N-(6-(pyridin-3-yl)-1H-indazol-3-yl)butyramide
CID 10016510
N-(1-ethyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)-3-methylbutanamide
CID 942876
3-(cyclohexylmethyl)-5-(1H-indazol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985365
1-(dicyclopropylmethylamino)-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635984
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide
CID 44540492
N4-(7-(naphthalen-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
CID 46224666

Frequently Asked Questions

What is the IUPAC name of N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 57410849) is N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is O=C(Nc1cc2ccc(-c3cccc4[nH]ncc34)cc2cn1)C1CC1.
What is the InChIKey of N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is JKURHUYWRRJUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(12-4-5-12)23-19-9-13-6-7-14(8-15(13)10-21-19)16-2-1-3-18-17(16)11-22-24-18/h1-3,6-12H,4-5H2,(H,22,24)(H,21,23,25).
What are the key properties of N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 328.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57410849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).