4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid

C24H24N8O2 — CID 155167461

IUPAC4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1
InChIInChI=1S/C24H24N8O2/c33-24(34)17-6-19(20-10-26-28-21(20)7-17)22-14-32(30-29-22)13-18-12-31-11-16(4-5-23(31)27-18)9-25-8-15-2-1-3-15/h4-7,10-12,14-15,25H,1-3,8-9,13H2,(H,26,28)(H,33,34)
InChIKeyJAFMBLQXRXYWQM-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.11
Rot. Bonds8

About 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid

4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid (PubChem CID 155167461) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid
PubChem CID155167461
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1
InChIInChI=1S/C24H24N8O2/c33-24(34)17-6-19(20-10-26-28-21(20)7-17)22-14-32(30-29-22)13-18-12-31-11-16(4-5-23(31)27-18)9-25-8-15-2-1-3-15/h4-7,10-12,14-15,25H,1-3,8-9,13H2,(H,26,28)(H,33,34)
InChIKeyJAFMBLQXRXYWQM-UHFFFAOYSA-N
XLogP3.11
TPSA126.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid?
The IUPAC name of 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid (CID 155167461) is 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid?
The canonical SMILES for 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid is O=C(O)c1cc(-c2cn(Cc3cn4cc(CNCC5CCC5)ccc4n3)nn2)c2cn[nH]c2c1.
What is the InChIKey of 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid?
The InChIKey is JAFMBLQXRXYWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c33-24(34)17-6-19(20-10-26-28-21(20)7-17)22-14-32(30-29-22)13-18-12-31-11-16(4-5-23(31)27-18)9-25-8-15-2-1-3-15/h4-7,10-12,14-15,25H,1-3,8-9,13H2,(H,26,28)(H,33,34).
What are the key properties of 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid?
4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid has a molecular weight of 456.51 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 155167461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).