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

C23H25N7O — CID 20789124

IUPACN-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide
SMILESCN(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CCC5)c4)c3c2)n[nH]1
InChIInChI=1S/C23H25N7O/c1-30(2)13-20-25-22(29-27-20)15-9-10-19-18(12-15)21(28-26-19)14-5-3-6-16(11-14)23(31)24-17-7-4-8-17/h3,5-6,9-12,17H,4,7-8,13H2,1-2H3,(H,24,31)(H,26,28)(H,25,27,29)
InChIKeySQCCVQQIBMSRRJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.36
Rot. Bonds6

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

N-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide (PubChem CID 20789124) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is N-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide
PubChem CID20789124
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC NameN-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide
SMILESCN(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CCC5)c4)c3c2)n[nH]1
InChIInChI=1S/C23H25N7O/c1-30(2)13-20-25-22(29-27-20)15-9-10-19-18(12-15)21(28-26-19)14-5-3-6-16(11-14)23(31)24-17-7-4-8-17/h3,5-6,9-12,17H,4,7-8,13H2,1-2H3,(H,24,31)(H,26,28)(H,25,27,29)
InChIKeySQCCVQQIBMSRRJ-UHFFFAOYSA-N
XLogP3.36
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide?
The IUPAC name of N-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide (CID 20789124) is N-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide is CN(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(C(=O)NC5CCC5)c4)c3c2)n[nH]1.
What is the InChIKey of N-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide?
The InChIKey is SQCCVQQIBMSRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-30(2)13-20-25-22(29-27-20)15-9-10-19-18(12-15)21(28-26-19)14-5-3-6-16(11-14)23(31)24-17-7-4-8-17/h3,5-6,9-12,17H,4,7-8,13H2,1-2H3,(H,24,31)(H,26,28)(H,25,27,29).
What are the key properties of N-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide?
N-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide has a molecular weight of 415.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 20789124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).