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

C24H21N7 — CID 164621066

IUPAC3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole
SMILESc1cc(-c2n[nH]c3ccc(-c4nncn4C4CC4)cc23)cc(-n2cnc(C3CC3)c2)c1
InChIInChI=1S/C24H21N7/c1-2-16(10-19(3-1)30-12-22(25-13-30)15-4-5-15)23-20-11-17(6-9-21(20)27-28-23)24-29-26-14-31(24)18-7-8-18/h1-3,6,9-15,18H,4-5,7-8H2,(H,27,28)
InChIKeyJNHBXSMZBOTNJK-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.89
Rot. Bonds5

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

3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole (PubChem CID 164621066) has the molecular formula C24H21N7 and a molecular weight of 407.48 g/mol. Its IUPAC name is 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole
PubChem CID164621066
Molecular FormulaC24H21N7
Molecular Weight407.48 g/mol
Exact Mass407.19
IUPAC Name3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole
SMILESc1cc(-c2n[nH]c3ccc(-c4nncn4C4CC4)cc23)cc(-n2cnc(C3CC3)c2)c1
InChIInChI=1S/C24H21N7/c1-2-16(10-19(3-1)30-12-22(25-13-30)15-4-5-15)23-20-11-17(6-9-21(20)27-28-23)24-29-26-14-31(24)18-7-8-18/h1-3,6,9-15,18H,4-5,7-8H2,(H,27,28)
InChIKeyJNHBXSMZBOTNJK-UHFFFAOYSA-N
XLogP4.89
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole?
The IUPAC name of 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole (CID 164621066) is 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole.
What is the SMILES notation for 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole?
The canonical SMILES for 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole is c1cc(-c2n[nH]c3ccc(-c4nncn4C4CC4)cc23)cc(-n2cnc(C3CC3)c2)c1.
What is the InChIKey of 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole?
The InChIKey is JNHBXSMZBOTNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7/c1-2-16(10-19(3-1)30-12-22(25-13-30)15-4-5-15)23-20-11-17(6-9-21(20)27-28-23)24-29-26-14-31(24)18-7-8-18/h1-3,6,9-15,18H,4-5,7-8H2,(H,27,28).
What are the key properties of 3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole?
3-[3-(4-cyclopropylimidazol-1-yl)phenyl]-5-(4-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole has a molecular weight of 407.48 g/mol, XLogP of 4.89, 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-cyclopropyl-1,2,4-triazol-3-yl)-1H-indazole is sourced from PubChem (CID 164621066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).