3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide

C24H24N8O — CID 57411846

IUPAC3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide
SMILESO=C(NC1CCCC(Cn2cncn2)C1)c1ccc2[nH]nc(-c3ccc4nccn4c3)c2c1
InChIInChI=1S/C24H24N8O/c33-24(28-19-3-1-2-16(10-19)12-32-15-25-14-27-32)17-4-6-21-20(11-17)23(30-29-21)18-5-7-22-26-8-9-31(22)13-18/h4-9,11,13-16,19H,1-3,10,12H2,(H,28,33)(H,29,30)
InChIKeyUIMXIQNXFRZZDG-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.46
Rot. Bonds5

About 3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide

3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide (PubChem CID 57411846) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide
PubChem CID57411846
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide
SMILESO=C(NC1CCCC(Cn2cncn2)C1)c1ccc2[nH]nc(-c3ccc4nccn4c3)c2c1
InChIInChI=1S/C24H24N8O/c33-24(28-19-3-1-2-16(10-19)12-32-15-25-14-27-32)17-4-6-21-20(11-17)23(30-29-21)18-5-7-22-26-8-9-31(22)13-18/h4-9,11,13-16,19H,1-3,10,12H2,(H,28,33)(H,29,30)
InChIKeyUIMXIQNXFRZZDG-UHFFFAOYSA-N
XLogP3.46
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide (CID 57411846) is 3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide is O=C(NC1CCCC(Cn2cncn2)C1)c1ccc2[nH]nc(-c3ccc4nccn4c3)c2c1.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide?
The InChIKey is UIMXIQNXFRZZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c33-24(28-19-3-1-2-16(10-19)12-32-15-25-14-27-32)17-4-6-21-20(11-17)23(30-29-21)18-5-7-22-26-8-9-31(22)13-18/h4-9,11,13-16,19H,1-3,10,12H2,(H,28,33)(H,29,30).
What are the key properties of 3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide?
3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 57411846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).