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

C24H29N7O — CID 22479849

IUPACN-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide
SMILESCN(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(NC(=O)CC(C)(C)C)c4)c3c2)n[nH]1
InChIInChI=1S/C24H29N7O/c1-24(2,3)13-21(32)25-17-8-6-7-15(11-17)22-18-12-16(9-10-19(18)27-29-22)23-26-20(28-30-23)14-31(4)5/h6-12H,13-14H2,1-5H3,(H,25,32)(H,27,29)(H,26,28,30)
InChIKeyXVJGHRKGBSQLKU-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.45
Rot. Bonds6

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

N-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide (PubChem CID 22479849) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide
PubChem CID22479849
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC NameN-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide
SMILESCN(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(NC(=O)CC(C)(C)C)c4)c3c2)n[nH]1
InChIInChI=1S/C24H29N7O/c1-24(2,3)13-21(32)25-17-8-6-7-15(11-17)22-18-12-16(9-10-19(18)27-29-22)23-26-20(28-30-23)14-31(4)5/h6-12H,13-14H2,1-5H3,(H,25,32)(H,27,29)(H,26,28,30)
InChIKeyXVJGHRKGBSQLKU-UHFFFAOYSA-N
XLogP4.45
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide (CID 22479849) is N-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide is CN(C)Cc1nc(-c2ccc3[nH]nc(-c4cccc(NC(=O)CC(C)(C)C)c4)c3c2)n[nH]1.
What is the InChIKey of N-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide?
The InChIKey is XVJGHRKGBSQLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-24(2,3)13-21(32)25-17-8-6-7-15(11-17)22-18-12-16(9-10-19(18)27-29-22)23-26-20(28-30-23)14-31(4)5/h6-12H,13-14H2,1-5H3,(H,25,32)(H,27,29)(H,26,28,30).
What are the key properties of N-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide?
N-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide has a molecular weight of 431.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 22479849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).