2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

C22H22Cl2N8O — CID 67383253

IUPAC2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(Nc3nccc4[nH]c(-c5c(Cl)cccc5Cl)nc34)ncn2)CC1
InChIInChI=1S/C22H22Cl2N8O/c23-14-2-1-3-15(24)19(14)21-28-16-4-5-25-22(20(16)30-21)29-17-12-18(27-13-26-17)32-8-6-31(7-9-32)10-11-33/h1-5,12-13,33H,6-11H2,(H,28,30)(H,25,26,27,29)
InChIKeyIKHRHWQMXKSPKT-UHFFFAOYSA-N
MW485.38 g/mol
LogP3.58
Rot. Bonds6

About 2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 67383253) has the molecular formula C22H22Cl2N8O and a molecular weight of 485.38 g/mol. Its IUPAC name is 2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID67383253
Molecular FormulaC22H22Cl2N8O
Molecular Weight485.38 g/mol
Exact Mass484.13
IUPAC Name2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(Nc3nccc4[nH]c(-c5c(Cl)cccc5Cl)nc34)ncn2)CC1
InChIInChI=1S/C22H22Cl2N8O/c23-14-2-1-3-15(24)19(14)21-28-16-4-5-25-22(20(16)30-21)29-17-12-18(27-13-26-17)32-8-6-31(7-9-32)10-11-33/h1-5,12-13,33H,6-11H2,(H,28,30)(H,25,26,27,29)
InChIKeyIKHRHWQMXKSPKT-UHFFFAOYSA-N
XLogP3.58
TPSA106.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 67383253) is 2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2cc(Nc3nccc4[nH]c(-c5c(Cl)cccc5Cl)nc34)ncn2)CC1.
What is the InChIKey of 2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is IKHRHWQMXKSPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N8O/c23-14-2-1-3-15(24)19(14)21-28-16-4-5-25-22(20(16)30-21)29-17-12-18(27-13-26-17)32-8-6-31(7-9-32)10-11-33/h1-5,12-13,33H,6-11H2,(H,28,30)(H,25,26,27,29).
What are the key properties of 2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 485.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 67383253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).