3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole

C24H23N7 — CID 164615203

IUPAC3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
SMILESCC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-n4cnc(C5CC5)c4)c3)c2c1
InChIInChI=1S/C24H23N7/c1-15(2)31-14-26-29-24(31)18-8-9-21-20(11-18)23(28-27-21)17-4-3-5-19(10-17)30-12-22(25-13-30)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,27,28)
InChIKeyVCZDTVSFMBOPOC-UHFFFAOYSA-N
MW409.50 g/mol
LogP5.13
Rot. Bonds5

About 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole

3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole (PubChem CID 164615203) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
PubChem CID164615203
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC Name3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
SMILESCC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-n4cnc(C5CC5)c4)c3)c2c1
InChIInChI=1S/C24H23N7/c1-15(2)31-14-26-29-24(31)18-8-9-21-20(11-18)23(28-27-21)17-4-3-5-19(10-17)30-12-22(25-13-30)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,27,28)
InChIKeyVCZDTVSFMBOPOC-UHFFFAOYSA-N
XLogP5.13
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphosphoryl)phenyl)-9H-purin-6-amine
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CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The IUPAC name of 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole (CID 164615203) is 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole.
What is the SMILES notation for 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The canonical SMILES for 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole is CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(-n4cnc(C5CC5)c4)c3)c2c1.
What is the InChIKey of 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The InChIKey is VCZDTVSFMBOPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-15(2)31-14-26-29-24(31)18-8-9-21-20(11-18)23(28-27-21)17-4-3-5-19(10-17)30-12-22(25-13-30)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,27,28).
What are the key properties of 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole has a molecular weight of 409.50 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole is sourced from PubChem (CID 164615203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).