N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide

C23H22N8O — CID 164618063

IUPACN-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
SMILESCC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(C(=O)Nc4cnn(C)c4)c3)c2c1
InChIInChI=1S/C23H22N8O/c1-14(2)31-13-24-29-22(31)16-7-8-20-19(10-16)21(28-27-20)15-5-4-6-17(9-15)23(32)26-18-11-25-30(3)12-18/h4-14H,1-3H3,(H,26,32)(H,27,28)
InChIKeyVUQLDCACGWBCKU-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.06
Rot. Bonds5

About N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide

N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide (PubChem CID 164618063) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
PubChem CID164618063
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC NameN-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
SMILESCC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(C(=O)Nc4cnn(C)c4)c3)c2c1
InChIInChI=1S/C23H22N8O/c1-14(2)31-13-24-29-22(31)16-7-8-20-19(10-16)21(28-27-20)15-5-4-6-17(9-15)23(32)26-18-11-25-30(3)12-18/h4-14H,1-3H3,(H,26,32)(H,27,28)
InChIKeyVUQLDCACGWBCKU-UHFFFAOYSA-N
XLogP4.06
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide (CID 164618063) is N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide is CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(C(=O)Nc4cnn(C)c4)c3)c2c1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is VUQLDCACGWBCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-14(2)31-13-24-29-22(31)16-7-8-20-19(10-16)21(28-27-20)15-5-4-6-17(9-15)23(32)26-18-11-25-30(3)12-18/h4-14H,1-3H3,(H,26,32)(H,27,28).
What are the key properties of N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 426.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 164618063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).