1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol

C25H23ClF3N5O — CID 138515718

IUPAC1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol
SMILESCc1c(-c2cc(N3CCN(c4ccc(C(O)C(F)(F)F)cn4)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C25H23ClF3N5O/c1-16-23(31-22-4-2-3-9-34(16)22)19-14-18(6-7-20(19)26)32-10-12-33(13-11-32)21-8-5-17(15-30-21)24(35)25(27,28)29/h2-9,14-15,24,35H,10-13H2,1H3
InChIKeyHIMKRYJDPGDOJP-UHFFFAOYSA-N
MW501.94 g/mol
LogP5.28
Rot. Bonds4

About 1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol

1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol (PubChem CID 138515718) has the molecular formula C25H23ClF3N5O and a molecular weight of 501.94 g/mol. Its IUPAC name is 1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol
PubChem CID138515718
Molecular FormulaC25H23ClF3N5O
Molecular Weight501.94 g/mol
Exact Mass501.15
IUPAC Name1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol
SMILESCc1c(-c2cc(N3CCN(c4ccc(C(O)C(F)(F)F)cn4)CC3)ccc2Cl)nc2ccccn12
InChIInChI=1S/C25H23ClF3N5O/c1-16-23(31-22-4-2-3-9-34(16)22)19-14-18(6-7-20(19)26)32-10-12-33(13-11-32)21-8-5-17(15-30-21)24(35)25(27,28)29/h2-9,14-15,24,35H,10-13H2,1H3
InChIKeyHIMKRYJDPGDOJP-UHFFFAOYSA-N
XLogP5.28
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.94
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol (CID 138515718) is 1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol is Cc1c(-c2cc(N3CCN(c4ccc(C(O)C(F)(F)F)cn4)CC3)ccc2Cl)nc2ccccn12.
What is the InChIKey of 1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol?
The InChIKey is HIMKRYJDPGDOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N5O/c1-16-23(31-22-4-2-3-9-34(16)22)19-14-18(6-7-20(19)26)32-10-12-33(13-11-32)21-8-5-17(15-30-21)24(35)25(27,28)29/h2-9,14-15,24,35H,10-13H2,1H3.
What are the key properties of 1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol?
1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol has a molecular weight of 501.94 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[4-chloro-3-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]piperazin-1-yl]-3-pyridinyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 138515718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).