N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline

C26H27ClFN5 — CID 71009928

IUPACN-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline
SMILESCCc1nc2ccc(Cl)cn2c1CNc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H27ClFN5/c1-2-24-25(33-18-19(27)3-12-26(33)30-24)17-29-21-6-10-23(11-7-21)32-15-13-31(14-16-32)22-8-4-20(28)5-9-22/h3-12,18,29H,2,13-17H2,1H3
InChIKeyAJPLKSKAZURNID-UHFFFAOYSA-N
MW463.99 g/mol
LogP5.63
Rot. Bonds6

About N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline

N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline (PubChem CID 71009928) has the molecular formula C26H27ClFN5 and a molecular weight of 463.99 g/mol. Its IUPAC name is N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline.

Molecular Properties

Compound NameN-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline
PubChem CID71009928
Molecular FormulaC26H27ClFN5
Molecular Weight463.99 g/mol
Exact Mass463.19
IUPAC NameN-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline
SMILESCCc1nc2ccc(Cl)cn2c1CNc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H27ClFN5/c1-2-24-25(33-18-19(27)3-12-26(33)30-24)17-29-21-6-10-23(11-7-21)32-15-13-31(14-16-32)22-8-4-20(28)5-9-22/h3-12,18,29H,2,13-17H2,1H3
InChIKeyAJPLKSKAZURNID-UHFFFAOYSA-N
XLogP5.63
TPSA35.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.99
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline?
The IUPAC name of N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline (CID 71009928) is N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline.
What is the SMILES notation for N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline?
The canonical SMILES for N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline is CCc1nc2ccc(Cl)cn2c1CNc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline?
The InChIKey is AJPLKSKAZURNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN5/c1-2-24-25(33-18-19(27)3-12-26(33)30-24)17-29-21-6-10-23(11-7-21)32-15-13-31(14-16-32)22-8-4-20(28)5-9-22/h3-12,18,29H,2,13-17H2,1H3.
What are the key properties of N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline?
N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline has a molecular weight of 463.99 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline is sourced from PubChem (CID 71009928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).