N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide

C19H16N4O — CID 155966914

IUPACN-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide
SMILESO=C(NCCc1ccc2cn[nH]c2c1)c1ccc2cnccc2c1
InChIInChI=1S/C19H16N4O/c24-19(15-3-4-16-11-20-7-6-14(16)10-15)21-8-5-13-1-2-17-12-22-23-18(17)9-13/h1-4,6-7,9-12H,5,8H2,(H,21,24)(H,22,23)
InChIKeyWOQOSTJVPGPDAK-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide

N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide (PubChem CID 155966914) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide
PubChem CID155966914
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide
SMILESO=C(NCCc1ccc2cn[nH]c2c1)c1ccc2cnccc2c1
InChIInChI=1S/C19H16N4O/c24-19(15-3-4-16-11-20-7-6-14(16)10-15)21-8-5-13-1-2-17-12-22-23-18(17)9-13/h1-4,6-7,9-12H,5,8H2,(H,21,24)(H,22,23)
InChIKeyWOQOSTJVPGPDAK-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558
N-ethylisoquinoline-6-carboxamide
CID 110485080
N-(3-hydroxypropyl)isoquinoline-6-carboxamide
CID 110485097
N-hexylisoquinoline-6-carboxamide
CID 110485174
N-[2-(1H-indazol-6-yl)ethyl]cyclopentanecarboxamide
CID 155945475
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
N-(3,3,3-trifluoropropyl)-1H-indazole-6-carboxamide
CID 63227826
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide
CID 110485149
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836
N-(4,4,4-trifluorobutyl)-1H-indazole-6-carboxamide
CID 79039225
N-(3-aminobutyl)-1H-indazole-6-carboxamide
CID 63253437

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide?
The IUPAC name of N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide (CID 155966914) is N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide is O=C(NCCc1ccc2cn[nH]c2c1)c1ccc2cnccc2c1.
What is the InChIKey of N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide?
The InChIKey is WOQOSTJVPGPDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-19(15-3-4-16-11-20-7-6-14(16)10-15)21-8-5-13-1-2-17-12-22-23-18(17)9-13/h1-4,6-7,9-12H,5,8H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide?
N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indazol-6-yl)ethyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 155966914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).