2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol

C25H27ClN6O — CID 138515664

IUPAC2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol
SMILESCc1c(-c2cc(N3CCN(c4ncc(C(C)(C)O)cn4)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C25H27ClN6O/c1-17-23(29-22-6-4-5-9-32(17)22)20-14-19(7-8-21(20)26)30-10-12-31(13-11-30)24-27-15-18(16-28-24)25(2,3)33/h4-9,14-16,33H,10-13H2,1-3H3
InChIKeyLMNZFFDOHDPLKY-UHFFFAOYSA-N
MW462.99 g/mol
LogP4.31
Rot. Bonds4

About 2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol

2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol (PubChem CID 138515664) has the molecular formula C25H27ClN6O and a molecular weight of 462.99 g/mol. Its IUPAC name is 2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol
PubChem CID138515664
Molecular FormulaC25H27ClN6O
Molecular Weight462.99 g/mol
Exact Mass462.19
IUPAC Name2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol
SMILESCc1c(-c2cc(N3CCN(c4ncc(C(C)(C)O)cn4)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C25H27ClN6O/c1-17-23(29-22-6-4-5-9-32(17)22)20-14-19(7-8-21(20)26)30-10-12-31(13-11-30)24-27-15-18(16-28-24)25(2,3)33/h4-9,14-16,33H,10-13H2,1-3H3
InChIKeyLMNZFFDOHDPLKY-UHFFFAOYSA-N
XLogP4.31
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.99
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol (CID 138515664) is 2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol is Cc1c(-c2cc(N3CCN(c4ncc(C(C)(C)O)cn4)CC3)ccc2Cl)nc2ccccn12.
What is the InChIKey of 2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol?
The InChIKey is LMNZFFDOHDPLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O/c1-17-23(29-22-6-4-5-9-32(17)22)20-14-19(7-8-21(20)26)30-10-12-31(13-11-30)24-27-15-18(16-28-24)25(2,3)33/h4-9,14-16,33H,10-13H2,1-3H3.
What are the key properties of 2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol?
2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol has a molecular weight of 462.99 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 138515664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).