6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H17ClF3N5O2 — CID 118144783

IUPAC6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)Nc1cnn(CCF)c1
InChIInChI=1S/C21H17ClF3N5O2/c1-12-19(21(31)28-14-8-26-29(10-14)6-5-23)30-9-13(22)7-18(20(30)27-12)32-11-15-16(24)3-2-4-17(15)25/h2-4,7-10H,5-6,11H2,1H3,(H,28,31)
InChIKeyGFFYYDGBMOGRMP-UHFFFAOYSA-N
MW463.85 g/mol
LogP4.57
Rot. Bonds7

About 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118144783) has the molecular formula C21H17ClF3N5O2 and a molecular weight of 463.85 g/mol. Its IUPAC name is 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118144783
Molecular FormulaC21H17ClF3N5O2
Molecular Weight463.85 g/mol
Exact Mass463.10
IUPAC Name6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)Nc1cnn(CCF)c1
InChIInChI=1S/C21H17ClF3N5O2/c1-12-19(21(31)28-14-8-26-29(10-14)6-5-23)30-9-13(22)7-18(20(30)27-12)32-11-15-16(24)3-2-4-17(15)25/h2-4,7-10H,5-6,11H2,1H3,(H,28,31)
InChIKeyGFFYYDGBMOGRMP-UHFFFAOYSA-N
XLogP4.57
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.85
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 118144783) is 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cc(Cl)cn2c1C(=O)Nc1cnn(CCF)c1.
What is the InChIKey of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GFFYYDGBMOGRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O2/c1-12-19(21(31)28-14-8-26-29(10-14)6-5-23)30-9-13(22)7-18(20(30)27-12)32-11-15-16(24)3-2-4-17(15)25/h2-4,7-10H,5-6,11H2,1H3,(H,28,31).
What are the key properties of 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 463.85 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(2,6-difluorophenyl)methoxy]-N-[1-(2-fluoroethyl)pyrazol-4-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118144783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).