2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile

C20H12F4N6O — CID 118101511

IUPAC2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Nc2ccc(C(F)(F)F)nc2)nc(-c2c(CO)nc3ccc(F)cn23)c1
InChIInChI=1S/C20H12F4N6O/c21-12-1-4-18-29-15(10-31)19(30(18)9-12)14-5-11(7-25)6-17(28-14)27-13-2-3-16(26-8-13)20(22,23)24/h1-6,8-9,31H,10H2,(H,27,28)
InChIKeyTYMITBOONDPKSL-UHFFFAOYSA-N
MW428.35 g/mol
LogP4.06
Rot. Bonds4

About 2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile

2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile (PubChem CID 118101511) has the molecular formula C20H12F4N6O and a molecular weight of 428.35 g/mol. Its IUPAC name is 2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile
PubChem CID118101511
Molecular FormulaC20H12F4N6O
Molecular Weight428.35 g/mol
Exact Mass428.10
IUPAC Name2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Nc2ccc(C(F)(F)F)nc2)nc(-c2c(CO)nc3ccc(F)cn23)c1
InChIInChI=1S/C20H12F4N6O/c21-12-1-4-18-29-15(10-31)19(30(18)9-12)14-5-11(7-25)6-17(28-14)27-13-2-3-16(26-8-13)20(22,23)24/h1-6,8-9,31H,10H2,(H,27,28)
InChIKeyTYMITBOONDPKSL-UHFFFAOYSA-N
XLogP4.06
TPSA99.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile (CID 118101511) is 2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile is N#Cc1cc(Nc2ccc(C(F)(F)F)nc2)nc(-c2c(CO)nc3ccc(F)cn23)c1.
What is the InChIKey of 2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile?
The InChIKey is TYMITBOONDPKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N6O/c21-12-1-4-18-29-15(10-31)19(30(18)9-12)14-5-11(7-25)6-17(28-14)27-13-2-3-16(26-8-13)20(22,23)24/h1-6,8-9,31H,10H2,(H,27,28).
What are the key properties of 2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile?
2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile has a molecular weight of 428.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[[6-(trifluoromethyl)-3-pyridinyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 118101511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).