2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol

C25H28ClN7O3 — CID 135335276

IUPAC2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(NCCO)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H28ClN7O3/c1-35-21-15-22(36-2)19(26)14-18(21)20-16-33-7-4-17(13-24(33)29-20)31-8-10-32(11-9-31)23-3-5-27-25(30-23)28-6-12-34/h3-5,7,13-16,34H,6,8-12H2,1-2H3,(H,27,28,30)
InChIKeyUEKQUHSQPTZSGN-UHFFFAOYSA-N
MW510.00 g/mol
LogP3.19
Rot. Bonds8

About 2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol

2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 135335276) has the molecular formula C25H28ClN7O3 and a molecular weight of 510.00 g/mol. Its IUPAC name is 2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID135335276
Molecular FormulaC25H28ClN7O3
Molecular Weight510.00 g/mol
Exact Mass509.19
IUPAC Name2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(NCCO)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C25H28ClN7O3/c1-35-21-15-22(36-2)19(26)14-18(21)20-16-33-7-4-17(13-24(33)29-20)31-8-10-32(11-9-31)23-3-5-27-25(30-23)28-6-12-34/h3-5,7,13-16,34H,6,8-12H2,1-2H3,(H,27,28,30)
InChIKeyUEKQUHSQPTZSGN-UHFFFAOYSA-N
XLogP3.19
TPSA100.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.00
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol (CID 135335276) is 2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol is COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ccnc(NCCO)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is UEKQUHSQPTZSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN7O3/c1-35-21-15-22(36-2)19(26)14-18(21)20-16-33-7-4-17(13-24(33)29-20)31-8-10-32(11-9-31)23-3-5-27-25(30-23)28-6-12-34/h3-5,7,13-16,34H,6,8-12H2,1-2H3,(H,27,28,30).
What are the key properties of 2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 510.00 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 135335276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).