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

C23H22N8 — CID 164609137

IUPAC3-[3-(3-cyclopropyl-1,2,4-triazol-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)n4)c3)c2c1
InChIInChI=1S/C23H22N8/c1-14(2)30-13-25-28-23(30)17-8-9-20-19(11-17)21(27-26-20)16-4-3-5-18(10-16)31-12-24-22(29-31)15-6-7-15/h3-5,8-15H,6-7H2,1-2H3,(H,26,27)
InChIKeyQRFUCZRWDLUKAM-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.53
Rot. Bonds5

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

3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole (PubChem CID 164609137) has the molecular formula C23H22N8 and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole.

Molecular Properties

Compound Name3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole
PubChem CID164609137
Molecular FormulaC23H22N8
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name3-[3-(3-cyclopropyl-1,2,4-triazol-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)n4)c3)c2c1
InChIInChI=1S/C23H22N8/c1-14(2)30-13-25-28-23(30)17-8-9-20-19(11-17)21(27-26-20)16-4-3-5-18(10-16)31-12-24-22(29-31)15-6-7-15/h3-5,8-15H,6-7H2,1-2H3,(H,26,27)
InChIKeyQRFUCZRWDLUKAM-UHFFFAOYSA-N
XLogP4.53
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The IUPAC name of 3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole (CID 164609137) is 3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole.
What is the SMILES notation for 3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The canonical SMILES for 3-[3-(3-cyclopropyl-1,2,4-triazol-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)n4)c3)c2c1.
What is the InChIKey of 3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
The InChIKey is QRFUCZRWDLUKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8/c1-14(2)30-13-25-28-23(30)17-8-9-20-19(11-17)21(27-26-20)16-4-3-5-18(10-16)31-12-24-22(29-31)15-6-7-15/h3-5,8-15H,6-7H2,1-2H3,(H,26,27).
What are the key properties of 3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole?
3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole has a molecular weight of 410.49 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-cyclopropyl-1,2,4-triazol-1-yl)phenyl]-5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazole is sourced from PubChem (CID 164609137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).