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

C24H23N7 — CID 160586655

IUPAC4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole
SMILESCn1nccc1-c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1
InChIInChI=1S/C24H23N7/c1-30-21(11-12-26-30)15-3-7-17(8-4-15)24-27-22(31(2)29-24)13-18-9-10-20-19(14-25-28-20)23(18)16-5-6-16/h3-4,7-12,14,16H,5-6,13H2,1-2H3,(H,25,28)
InChIKeyRCMDKUSIUKNPEX-UHFFFAOYSA-N
MW409.50 g/mol
LogP4.23
Rot. Bonds5

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

4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole (PubChem CID 160586655) has the molecular formula C24H23N7 and a molecular weight of 409.50 g/mol. Its IUPAC name is 4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole.

Molecular Properties

Compound Name4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole
PubChem CID160586655
Molecular FormulaC24H23N7
Molecular Weight409.50 g/mol
Exact Mass409.20
IUPAC Name4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole
SMILESCn1nccc1-c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1
InChIInChI=1S/C24H23N7/c1-30-21(11-12-26-30)15-3-7-17(8-4-15)24-27-22(31(2)29-24)13-18-9-10-20-19(14-25-28-20)23(18)16-5-6-16/h3-4,7-12,14,16H,5-6,13H2,1-2H3,(H,25,28)
InChIKeyRCMDKUSIUKNPEX-UHFFFAOYSA-N
XLogP4.23
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole?
The IUPAC name of 4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole (CID 160586655) is 4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole.
What is the SMILES notation for 4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole?
The canonical SMILES for 4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole is Cn1nccc1-c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.
What is the InChIKey of 4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole?
The InChIKey is RCMDKUSIUKNPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7/c1-30-21(11-12-26-30)15-3-7-17(8-4-15)24-27-22(31(2)29-24)13-18-9-10-20-19(14-25-28-20)23(18)16-5-6-16/h3-4,7-12,14,16H,5-6,13H2,1-2H3,(H,25,28).
What are the key properties of 4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole?
4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole has a molecular weight of 409.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[[2-methyl-5-[4-(2-methylpyrazol-3-yl)phenyl]-1,2,4-triazol-3-yl]methyl]-1H-indazole is sourced from PubChem (CID 160586655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).