2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone

C24H29N7O — CID 151581417

IUPAC2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone
SMILESCc1cc2c(C3CCCN(C(=O)CN(C)C)C3)[nH]nc2cc1-c1cc(C)c2ncnn2c1
InChIInChI=1S/C24H29N7O/c1-15-9-20-21(10-19(15)18-8-16(2)24-25-14-26-31(24)12-18)27-28-23(20)17-6-5-7-30(11-17)22(32)13-29(3)4/h8-10,12,14,17H,5-7,11,13H2,1-4H3,(H,27,28)
InChIKeyQGOOZLSFFRWRLA-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.16
Rot. Bonds4

About 2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone

2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 151581417) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone
PubChem CID151581417
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC Name2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone
SMILESCc1cc2c(C3CCCN(C(=O)CN(C)C)C3)[nH]nc2cc1-c1cc(C)c2ncnn2c1
InChIInChI=1S/C24H29N7O/c1-15-9-20-21(10-19(15)18-8-16(2)24-25-14-26-31(24)12-18)27-28-23(20)17-6-5-7-30(11-17)22(32)13-29(3)4/h8-10,12,14,17H,5-7,11,13H2,1-4H3,(H,27,28)
InChIKeyQGOOZLSFFRWRLA-UHFFFAOYSA-N
XLogP3.16
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone (CID 151581417) is 2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone is Cc1cc2c(C3CCCN(C(=O)CN(C)C)C3)[nH]nc2cc1-c1cc(C)c2ncnn2c1.
What is the InChIKey of 2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is QGOOZLSFFRWRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-15-9-20-21(10-19(15)18-8-16(2)24-25-14-26-31(24)12-18)27-28-23(20)17-6-5-7-30(11-17)22(32)13-29(3)4/h8-10,12,14,17H,5-7,11,13H2,1-4H3,(H,27,28).
What are the key properties of 2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 431.54 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[3-[5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-indazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 151581417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).