[4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol

C24H27FN4O2 — CID 159410115

IUPAC[4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol
SMILESCCCc1cnc2ccc(-c3cccc(F)c3OCCc3c(CO)nn(C)c3C)cn12
InChIInChI=1S/C24H27FN4O2/c1-4-6-18-13-26-23-10-9-17(14-29(18)23)20-7-5-8-21(25)24(20)31-12-11-19-16(2)28(3)27-22(19)15-30/h5,7-10,13-14,30H,4,6,11-12,15H2,1-3H3
InChIKeyJWXKVMSPLNGAMP-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.25
Rot. Bonds8

About [4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol

[4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol (PubChem CID 159410115) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is [4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol
PubChem CID159410115
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name[4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol
SMILESCCCc1cnc2ccc(-c3cccc(F)c3OCCc3c(CO)nn(C)c3C)cn12
InChIInChI=1S/C24H27FN4O2/c1-4-6-18-13-26-23-10-9-17(14-29(18)23)20-7-5-8-21(25)24(20)31-12-11-19-16(2)28(3)27-22(19)15-30/h5,7-10,13-14,30H,4,6,11-12,15H2,1-3H3
InChIKeyJWXKVMSPLNGAMP-UHFFFAOYSA-N
XLogP4.25
TPSA64.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol?
The IUPAC name of [4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol (CID 159410115) is [4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol.
What is the SMILES notation for [4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol?
The canonical SMILES for [4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol is CCCc1cnc2ccc(-c3cccc(F)c3OCCc3c(CO)nn(C)c3C)cn12.
What is the InChIKey of [4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol?
The InChIKey is JWXKVMSPLNGAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-4-6-18-13-26-23-10-9-17(14-29(18)23)20-7-5-8-21(25)24(20)31-12-11-19-16(2)28(3)27-22(19)15-30/h5,7-10,13-14,30H,4,6,11-12,15H2,1-3H3.
What are the key properties of [4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol?
[4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol has a molecular weight of 422.50 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-fluoro-6-(3-propylimidazo[1,2-a]pyridin-6-yl)phenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol is sourced from PubChem (CID 159410115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).