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

C20H18N6O — CID 20789123

IUPACN-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NC1CCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C20H18N6O/c27-20(23-15-5-2-6-15)14-4-1-3-12(9-14)18-16-10-13(19-21-11-22-26-19)7-8-17(16)24-25-18/h1,3-4,7-11,15H,2,5-6H2,(H,23,27)(H,24,25)(H,21,22,26)
InChIKeyLOWJUWIPVBPXKY-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.30
Rot. Bonds4

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

N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 20789123) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID20789123
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NC1CCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C20H18N6O/c27-20(23-15-5-2-6-15)14-4-1-3-12(9-14)18-16-10-13(19-21-11-22-26-19)7-8-17(16)24-25-18/h1,3-4,7-11,15H,2,5-6H2,(H,23,27)(H,24,25)(H,21,22,26)
InChIKeyLOWJUWIPVBPXKY-UHFFFAOYSA-N
XLogP3.30
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 20789123) is N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is O=C(NC1CCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is LOWJUWIPVBPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c27-20(23-15-5-2-6-15)14-4-1-3-12(9-14)18-16-10-13(19-21-11-22-26-19)7-8-17(16)24-25-18/h1,3-4,7-11,15H,2,5-6H2,(H,23,27)(H,24,25)(H,21,22,26).
What are the key properties of N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 358.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 20789123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).