4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C25H19F3N6O2 — CID 24827069

IUPAC4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCNC(=O)Nc1cccn2c(C#Cc3cc(C(=O)Nc4cc(C(F)(F)F)ccn4)ccc3C)cnc12
InChIInChI=1S/C25H19F3N6O2/c1-15-5-6-17(23(35)33-21-13-18(9-10-30-21)25(26,27)28)12-16(15)7-8-19-14-31-22-20(32-24(36)29-2)4-3-11-34(19)22/h3-6,9-14H,1-2H3,(H2,29,32,36)(H,30,33,35)
InChIKeyWCFODEMDQAMADY-UHFFFAOYSA-N
MW492.46 g/mol
LogP4.46
Rot. Bonds3

About 4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide

4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 24827069) has the molecular formula C25H19F3N6O2 and a molecular weight of 492.46 g/mol. Its IUPAC name is 4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID24827069
Molecular FormulaC25H19F3N6O2
Molecular Weight492.46 g/mol
Exact Mass492.15
IUPAC Name4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCNC(=O)Nc1cccn2c(C#Cc3cc(C(=O)Nc4cc(C(F)(F)F)ccn4)ccc3C)cnc12
InChIInChI=1S/C25H19F3N6O2/c1-15-5-6-17(23(35)33-21-13-18(9-10-30-21)25(26,27)28)12-16(15)7-8-19-14-31-22-20(32-24(36)29-2)4-3-11-34(19)22/h3-6,9-14H,1-2H3,(H2,29,32,36)(H,30,33,35)
InChIKeyWCFODEMDQAMADY-UHFFFAOYSA-N
XLogP4.46
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 24827069) is 4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is CNC(=O)Nc1cccn2c(C#Cc3cc(C(=O)Nc4cc(C(F)(F)F)ccn4)ccc3C)cnc12.
What is the InChIKey of 4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is WCFODEMDQAMADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2/c1-15-5-6-17(23(35)33-21-13-18(9-10-30-21)25(26,27)28)12-16(15)7-8-19-14-31-22-20(32-24(36)29-2)4-3-11-34(19)22/h3-6,9-14H,1-2H3,(H2,29,32,36)(H,30,33,35).
What are the key properties of 4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 492.46 g/mol, XLogP of 4.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[8-(methylcarbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 24827069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).