3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide

C20H16F4N4O2 — CID 66991766

IUPAC3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide
SMILESCC(C)(C#N)CC(=O)Nc1nc2ccc(F)cn2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H16F4N4O2/c1-19(2,11-25)9-16(29)27-18-17(28-10-13(21)5-8-15(28)26-18)12-3-6-14(7-4-12)30-20(22,23)24/h3-8,10H,9H2,1-2H3,(H,27,29)
InChIKeyFZHXBPASZGKPAB-UHFFFAOYSA-N
MW420.37 g/mol
LogP4.92
Rot. Bonds5

About 3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide

3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide (PubChem CID 66991766) has the molecular formula C20H16F4N4O2 and a molecular weight of 420.37 g/mol. Its IUPAC name is 3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide
PubChem CID66991766
Molecular FormulaC20H16F4N4O2
Molecular Weight420.37 g/mol
Exact Mass420.12
IUPAC Name3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide
SMILESCC(C)(C#N)CC(=O)Nc1nc2ccc(F)cn2c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H16F4N4O2/c1-19(2,11-25)9-16(29)27-18-17(28-10-13(21)5-8-15(28)26-18)12-3-6-14(7-4-12)30-20(22,23)24/h3-8,10H,9H2,1-2H3,(H,27,29)
InChIKeyFZHXBPASZGKPAB-UHFFFAOYSA-N
XLogP4.92
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
CID 66991059
(2S)-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]oxolane-2-carboxamide
CID 66991379
2-cyclopropyl-N-[6-fluoro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 66991488
N-(6-fluoro-3-pyridin-2-ylimidazo[1,2-a]pyridin-2-yl)-3,3-dimethylbutanamide
CID 25196868
4,4,4-trifluoro-N-[6-fluoro-3-[4-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-3,3-dimethylbutanamide
CID 87377181
3-cyclopropyl-N-[4-(3,3-difluorocyclobutyl)-1-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]-3-methylbutanamide
CID 169169775
methyl 6-(trifluoromethoxy)imidazo[1,2-a]pyridine-3-carboxylate
CID 76849593
methyl 6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 66849944
2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060561
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
2-[6-fluoro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82060605

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide?
The IUPAC name of 3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide (CID 66991766) is 3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide.
What is the SMILES notation for 3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide?
The canonical SMILES for 3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide is CC(C)(C#N)CC(=O)Nc1nc2ccc(F)cn2c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide?
The InChIKey is FZHXBPASZGKPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O2/c1-19(2,11-25)9-16(29)27-18-17(28-10-13(21)5-8-15(28)26-18)12-3-6-14(7-4-12)30-20(22,23)24/h3-8,10H,9H2,1-2H3,(H,27,29).
What are the key properties of 3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide?
3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide has a molecular weight of 420.37 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[6-fluoro-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-3-methylbutanamide is sourced from PubChem (CID 66991766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).