6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide

C28H29ClFN5O2 — CID 141476270

IUPAC6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCCOc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C28H29ClFN5O2/c1-2-25-27(35-19-20(29)3-12-26(35)32-25)28(36)31-13-18-37-24-10-8-23(9-11-24)34-16-14-33(15-17-34)22-6-4-21(30)5-7-22/h3-12,19H,2,13-18H2,1H3,(H,31,36)
InChIKeyYKDJKGGWAAJZHS-UHFFFAOYSA-N
MW522.02 g/mol
LogP4.82
Rot. Bonds8

About 6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 141476270) has the molecular formula C28H29ClFN5O2 and a molecular weight of 522.02 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID141476270
Molecular FormulaC28H29ClFN5O2
Molecular Weight522.02 g/mol
Exact Mass521.20
IUPAC Name6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCCOc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C28H29ClFN5O2/c1-2-25-27(35-19-20(29)3-12-26(35)32-25)28(36)31-13-18-37-24-10-8-23(9-11-24)34-16-14-33(15-17-34)22-6-4-21(30)5-7-22/h3-12,19H,2,13-18H2,1H3,(H,31,36)
InChIKeyYKDJKGGWAAJZHS-UHFFFAOYSA-N
XLogP4.82
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.02
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 141476270) is 6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCCOc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YKDJKGGWAAJZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClFN5O2/c1-2-25-27(35-19-20(29)3-12-26(35)32-25)28(36)31-13-18-37-24-10-8-23(9-11-24)34-16-14-33(15-17-34)22-6-4-21(30)5-7-22/h3-12,19H,2,13-18H2,1H3,(H,31,36).
What are the key properties of 6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 522.02 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 141476270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).