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

C22H22N6O — CID 164627776

IUPACN-cyclopropyl-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)NC4CC4)c3)c2c1
InChIInChI=1S/C22H22N6O/c1-13(2)28-12-23-27-21(28)15-6-9-19-18(11-15)20(26-25-19)14-4-3-5-16(10-14)22(29)24-17-7-8-17/h3-6,9-13,17H,7-8H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyYQKFGJDMUBRJPX-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.96
Rot. Bonds5

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

N-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide (PubChem CID 164627776) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
PubChem CID164627776
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-cyclopropyl-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)NC4CC4)c3)c2c1
InChIInChI=1S/C22H22N6O/c1-13(2)28-12-23-27-21(28)15-6-9-19-18(11-15)20(26-25-19)14-4-3-5-16(10-14)22(29)24-17-7-8-17/h3-6,9-13,17H,7-8H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyYQKFGJDMUBRJPX-UHFFFAOYSA-N
XLogP3.96
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide (CID 164627776) is N-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-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)NC4CC4)c3)c2c1.
What is the InChIKey of N-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is YQKFGJDMUBRJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-13(2)28-12-23-27-21(28)15-6-9-19-18(11-15)20(26-25-19)14-4-3-5-16(10-14)22(29)24-17-7-8-17/h3-6,9-13,17H,7-8H2,1-2H3,(H,24,29)(H,25,26).
What are the key properties of N-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
N-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 386.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 164627776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).