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

C22H23N7O — CID 20789127

IUPACN-cyclopropyl-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)NC5CC5)c4)c3c2)n[nH]1
InChIInChI=1S/C22H23N7O/c1-29(2)12-19-24-21(28-26-19)14-6-9-18-17(11-14)20(27-25-18)13-4-3-5-15(10-13)22(30)23-16-7-8-16/h3-6,9-11,16H,7-8,12H2,1-2H3,(H,23,30)(H,25,27)(H,24,26,28)
InChIKeyMYWKYEVSJZCXDS-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.97
Rot. Bonds6

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

N-cyclopropyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide (PubChem CID 20789127) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide
PubChem CID20789127
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-cyclopropyl-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)NC5CC5)c4)c3c2)n[nH]1
InChIInChI=1S/C22H23N7O/c1-29(2)12-19-24-21(28-26-19)14-6-9-18-17(11-14)20(27-25-18)13-4-3-5-15(10-13)22(30)23-16-7-8-16/h3-6,9-11,16H,7-8,12H2,1-2H3,(H,23,30)(H,25,27)(H,24,26,28)
InChIKeyMYWKYEVSJZCXDS-UHFFFAOYSA-N
XLogP2.97
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide (CID 20789127) is N-cyclopropyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-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)NC5CC5)c4)c3c2)n[nH]1.
What is the InChIKey of N-cyclopropyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide?
The InChIKey is MYWKYEVSJZCXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-29(2)12-19-24-21(28-26-19)14-6-9-18-17(11-14)20(27-25-18)13-4-3-5-15(10-13)22(30)23-16-7-8-16/h3-6,9-11,16H,7-8,12H2,1-2H3,(H,23,30)(H,25,27)(H,24,26,28).
What are the key properties of N-cyclopropyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide?
N-cyclopropyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 20789127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).