2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol

C22H26N6O3 — CID 170642062

IUPAC2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol
SMILESCOc1nc(NC2CCC(OCCO)CC2)nn2ccc(-c3ccc4nccn4c3)c12
InChIInChI=1S/C22H26N6O3/c1-30-21-20-18(15-2-7-19-23-9-11-27(19)14-15)8-10-28(20)26-22(25-21)24-16-3-5-17(6-4-16)31-13-12-29/h2,7-11,14,16-17,29H,3-6,12-13H2,1H3,(H,24,26)
InChIKeyBPDNVSMNIXLDEJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.78
Rot. Bonds7

About 2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol

2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol (PubChem CID 170642062) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol
PubChem CID170642062
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol
SMILESCOc1nc(NC2CCC(OCCO)CC2)nn2ccc(-c3ccc4nccn4c3)c12
InChIInChI=1S/C22H26N6O3/c1-30-21-20-18(15-2-7-19-23-9-11-27(19)14-15)8-10-28(20)26-22(25-21)24-16-3-5-17(6-4-16)31-13-12-29/h2,7-11,14,16-17,29H,3-6,12-13H2,1H3,(H,24,26)
InChIKeyBPDNVSMNIXLDEJ-UHFFFAOYSA-N
XLogP2.78
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol?
The IUPAC name of 2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol (CID 170642062) is 2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol.
What is the SMILES notation for 2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol?
The canonical SMILES for 2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol is COc1nc(NC2CCC(OCCO)CC2)nn2ccc(-c3ccc4nccn4c3)c12.
What is the InChIKey of 2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol?
The InChIKey is BPDNVSMNIXLDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c1-30-21-20-18(15-2-7-19-23-9-11-27(19)14-15)8-10-28(20)26-22(25-21)24-16-3-5-17(6-4-16)31-13-12-29/h2,7-11,14,16-17,29H,3-6,12-13H2,1H3,(H,24,26).
What are the key properties of 2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol?
2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol has a molecular weight of 422.49 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol is sourced from PubChem (CID 170642062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).