[4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol

C24H23ClFN5O2 — CID 140914848

IUPAC[4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(c5cccc(F)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H23ClFN5O2/c1-33-21-11-16(15-32)18(13-19(21)25)20-14-31-6-5-17(12-24(31)27-20)29-7-9-30(10-8-29)23-4-2-3-22(26)28-23/h2-6,11-14,32H,7-10,15H2,1H3
InChIKeyGKMHWIMMJZVCSW-UHFFFAOYSA-N
MW467.93 g/mol
LogP4.02
Rot. Bonds5

About [4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol

[4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol (PubChem CID 140914848) has the molecular formula C24H23ClFN5O2 and a molecular weight of 467.93 g/mol. Its IUPAC name is [4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
PubChem CID140914848
Molecular FormulaC24H23ClFN5O2
Molecular Weight467.93 g/mol
Exact Mass467.15
IUPAC Name[4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)c(-c2cn3ccc(N4CCN(c5cccc(F)n5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C24H23ClFN5O2/c1-33-21-11-16(15-32)18(13-19(21)25)20-14-31-6-5-17(12-24(31)27-20)29-7-9-30(10-8-29)23-4-2-3-22(26)28-23/h2-6,11-14,32H,7-10,15H2,1H3
InChIKeyGKMHWIMMJZVCSW-UHFFFAOYSA-N
XLogP4.02
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?
The IUPAC name of [4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol (CID 140914848) is [4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol.
What is the SMILES notation for [4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?
The canonical SMILES for [4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol is COc1cc(CO)c(-c2cn3ccc(N4CCN(c5cccc(F)n5)CC4)cc3n2)cc1Cl.
What is the InChIKey of [4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?
The InChIKey is GKMHWIMMJZVCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O2/c1-33-21-11-16(15-32)18(13-19(21)25)20-14-31-6-5-17(12-24(31)27-20)29-7-9-30(10-8-29)23-4-2-3-22(26)28-23/h2-6,11-14,32H,7-10,15H2,1H3.
What are the key properties of [4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol?
[4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol has a molecular weight of 467.93 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[7-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol is sourced from PubChem (CID 140914848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).