6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine

C21H17FN6OS — CID 172725025

IUPAC6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine
SMILESC[C@@H](Cn1cnnn1)Oc1cc(-c2ccc3ncc(-c4cccs4)n3c2)ccc1F
InChIInChI=1S/C21H17FN6OS/c1-14(11-27-13-24-25-26-27)29-19-9-15(4-6-17(19)22)16-5-7-21-23-10-18(28(21)12-16)20-3-2-8-30-20/h2-10,12-14H,11H2,1H3/t14-/m0/s1
InChIKeyHAKFSMCCPSTSAN-AWEZNQCLSA-N
MW420.47 g/mol
LogP4.32
Rot. Bonds6

About 6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine

6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine (PubChem CID 172725025) has the molecular formula C21H17FN6OS and a molecular weight of 420.47 g/mol. Its IUPAC name is 6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine
PubChem CID172725025
Molecular FormulaC21H17FN6OS
Molecular Weight420.47 g/mol
Exact Mass420.12
IUPAC Name6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine
SMILESC[C@@H](Cn1cnnn1)Oc1cc(-c2ccc3ncc(-c4cccs4)n3c2)ccc1F
InChIInChI=1S/C21H17FN6OS/c1-14(11-27-13-24-25-26-27)29-19-9-15(4-6-17(19)22)16-5-7-21-23-10-18(28(21)12-16)20-3-2-8-30-20/h2-10,12-14H,11H2,1H3/t14-/m0/s1
InChIKeyHAKFSMCCPSTSAN-AWEZNQCLSA-N
XLogP4.32
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine?
The IUPAC name of 6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine (CID 172725025) is 6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine is C[C@@H](Cn1cnnn1)Oc1cc(-c2ccc3ncc(-c4cccs4)n3c2)ccc1F.
What is the InChIKey of 6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine?
The InChIKey is HAKFSMCCPSTSAN-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H17FN6OS/c1-14(11-27-13-24-25-26-27)29-19-9-15(4-6-17(19)22)16-5-7-21-23-10-18(28(21)12-16)20-3-2-8-30-20/h2-10,12-14H,11H2,1H3/t14-/m0/s1.
What are the key properties of 6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine?
6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine has a molecular weight of 420.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]-3-thiophen-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 172725025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).