1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol

C25H28N8O — CID 155167449

IUPAC1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc3nc(Cn4cc(-c5cccc6[nH]ncc56)nn4)cn3c2)CCCCC1
InChIInChI=1S/C25H28N8O/c34-25(9-2-1-3-10-25)17-26-11-18-7-8-24-28-19(14-32(24)13-18)15-33-16-23(30-31-33)20-5-4-6-22-21(20)12-27-29-22/h4-8,12-14,16,26,34H,1-3,9-11,15,17H2,(H,27,29)
InChIKeyUZKOCSFLBNPUDW-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.30
Rot. Bonds7

About 1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol

1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 155167449) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID155167449
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc3nc(Cn4cc(-c5cccc6[nH]ncc56)nn4)cn3c2)CCCCC1
InChIInChI=1S/C25H28N8O/c34-25(9-2-1-3-10-25)17-26-11-18-7-8-24-28-19(14-32(24)13-18)15-33-16-23(30-31-33)20-5-4-6-22-21(20)12-27-29-22/h4-8,12-14,16,26,34H,1-3,9-11,15,17H2,(H,27,29)
InChIKeyUZKOCSFLBNPUDW-UHFFFAOYSA-N
XLogP3.30
TPSA108.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol (CID 155167449) is 1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol is OC1(CNCc2ccc3nc(Cn4cc(-c5cccc6[nH]ncc56)nn4)cn3c2)CCCCC1.
What is the InChIKey of 1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is UZKOCSFLBNPUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c34-25(9-2-1-3-10-25)17-26-11-18-7-8-24-28-19(14-32(24)13-18)15-33-16-23(30-31-33)20-5-4-6-22-21(20)12-27-29-22/h4-8,12-14,16,26,34H,1-3,9-11,15,17H2,(H,27,29).
What are the key properties of 1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol?
1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 456.55 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 155167449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).