N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide

C23H20N4O2 — CID 164984999

IUPACN-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide
SMILESCc1cc2c(cnn2C)c(C)c1C(=O)Nc1ccc2c(c1)C(c1ccoc1)=NC2
InChIInChI=1S/C23H20N4O2/c1-13-8-20-19(11-25-27(20)3)14(2)21(13)23(28)26-17-5-4-15-10-24-22(18(15)9-17)16-6-7-29-12-16/h4-9,11-12H,10H2,1-3H3,(H,26,28)
InChIKeyGAKLJNBQEGBZNG-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.39
Rot. Bonds3

About N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide

N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide (PubChem CID 164984999) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide
PubChem CID164984999
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide
SMILESCc1cc2c(cnn2C)c(C)c1C(=O)Nc1ccc2c(c1)C(c1ccoc1)=NC2
InChIInChI=1S/C23H20N4O2/c1-13-8-20-19(11-25-27(20)3)14(2)21(13)23(28)26-17-5-4-15-10-24-22(18(15)9-17)16-6-7-29-12-16/h4-9,11-12H,10H2,1-3H3,(H,26,28)
InChIKeyGAKLJNBQEGBZNG-UHFFFAOYSA-N
XLogP4.39
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-difluoro-1-methyl-N-[3-(3-methyl-1,2-oxazol-4-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 165109745
4,6-difluoro-1-methyl-N-(3-pyridin-3-yl-1H-isoindol-5-yl)indazole-5-carboxamide
CID 165029629
4,6-difluoro-1-methyl-N-[3-(1,2-oxazol-5-yl)-1H-isoindol-5-yl]indazole-5-carboxamide
CID 164975000
4,6-difluoro-N-[3-(2-fluorophenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164950841
3-cyano-N-[3-(furan-3-yl)-1H-isoindol-5-yl]-4-methyl-1H-pyrazole-5-carboxamide
CID 167537423
4,6-difluoro-N-[3-(2-hydroxyphenyl)-1H-isoindol-5-yl]-1-methylindazole-5-carboxamide
CID 164949063
N-[3-(1,3-dimethylpyrazol-4-yl)-1H-isoindol-5-yl]-4,6-difluoro-1-methylindazole-5-carboxamide
CID 165084481
3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167625204
3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167572344
N-[3-(furan-3-yl)-1H-isoindol-5-yl]-8,8-dimethyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 165048943
5-cyano-3,4-dimethyl-N-[3-[1-(trifluoromethyl)pyrazol-4-yl]-1H-isoindol-5-yl]pyridine-2-carboxamide
CID 167627369
4-methyl-N-(3-phenyl-1H-isoindol-5-yl)-6-(trifluoromethyl)-3H-isoindole-5-carboxamide
CID 165013877

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide?
The IUPAC name of N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide (CID 164984999) is N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide.
What is the SMILES notation for N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide?
The canonical SMILES for N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide is Cc1cc2c(cnn2C)c(C)c1C(=O)Nc1ccc2c(c1)C(c1ccoc1)=NC2.
What is the InChIKey of N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide?
The InChIKey is GAKLJNBQEGBZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-13-8-20-19(11-25-27(20)3)14(2)21(13)23(28)26-17-5-4-15-10-24-22(18(15)9-17)16-6-7-29-12-16/h4-9,11-12H,10H2,1-3H3,(H,26,28).
What are the key properties of N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide?
N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-3-yl)-1H-isoindol-5-yl]-1,4,6-trimethylindazole-5-carboxamide is sourced from PubChem (CID 164984999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).