2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol

C22H18FN5O — CID 122179432

IUPAC2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cn1
InChIInChI=1S/C22H18FN5O/c23-20-10-17(18-11-26-27(13-18)6-7-29)14-28-19(12-25-22(20)28)9-15-3-4-21-16(8-15)2-1-5-24-21/h1-5,8,10-14,29H,6-7,9H2
InChIKeyFKLXLKYYJPYDEO-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.47
Rot. Bonds5

About 2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol

2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol (PubChem CID 122179432) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol
PubChem CID122179432
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cn1
InChIInChI=1S/C22H18FN5O/c23-20-10-17(18-11-26-27(13-18)6-7-29)14-28-19(12-25-22(20)28)9-15-3-4-21-16(8-15)2-1-5-24-21/h1-5,8,10-14,29H,6-7,9H2
InChIKeyFKLXLKYYJPYDEO-UHFFFAOYSA-N
XLogP3.47
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol (CID 122179432) is 2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cn1.
What is the InChIKey of 2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol?
The InChIKey is FKLXLKYYJPYDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-20-10-17(18-11-26-27(13-18)6-7-29)14-28-19(12-25-22(20)28)9-15-3-4-21-16(8-15)2-1-5-24-21/h1-5,8,10-14,29H,6-7,9H2.
What are the key properties of 2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol?
2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol has a molecular weight of 387.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 122179432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).