[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone

C25H23ClFN5O2 — CID 129216370

IUPAC[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone
SMILESCOc1ccc(F)c(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)n1
InChIInChI=1S/C25H23ClFN5O2/c1-34-22-10-9-19(27)24(29-22)25(33)31-14-12-30(13-15-31)16-20-23(17-5-7-18(26)8-6-17)28-21-4-2-3-11-32(20)21/h2-11H,12-16H2,1H3
InChIKeyYBRDPVCCUZHPCK-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.16
Rot. Bonds5

About [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone

[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone (PubChem CID 129216370) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone
PubChem CID129216370
Molecular FormulaC25H23ClFN5O2
Molecular Weight479.94 g/mol
Exact Mass479.15
IUPAC Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone
SMILESCOc1ccc(F)c(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)n1
InChIInChI=1S/C25H23ClFN5O2/c1-34-22-10-9-19(27)24(29-22)25(33)31-14-12-30(13-15-31)16-20-23(17-5-7-18(26)8-6-17)28-21-4-2-3-11-32(20)21/h2-11H,12-16H2,1H3
InChIKeyYBRDPVCCUZHPCK-UHFFFAOYSA-N
XLogP4.16
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone (CID 129216370) is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone is COc1ccc(F)c(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)n1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone?
The InChIKey is YBRDPVCCUZHPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2/c1-34-22-10-9-19(27)24(29-22)25(33)31-14-12-30(13-15-31)16-20-23(17-5-7-18(26)8-6-17)28-21-4-2-3-11-32(20)21/h2-11H,12-16H2,1H3.
What are the key properties of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone?
[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone has a molecular weight of 479.94 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluoro-6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 129216370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).