8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

C25H18F5N5O2 — CID 118142633

IUPAC8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1nn(C)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C25H18F5N5O2/c1-13-21(24(36)32-22-15-11-14(25(28,29)30)8-9-19(15)34(2)33-22)35-10-4-7-20(23(35)31-13)37-12-16-17(26)5-3-6-18(16)27/h3-11H,12H2,1-2H3,(H,32,33,36)
InChIKeyWMACPBCFJUTWQR-UHFFFAOYSA-N
MW515.44 g/mol
LogP5.66
Rot. Bonds5

About 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118142633) has the molecular formula C25H18F5N5O2 and a molecular weight of 515.44 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118142633
Molecular FormulaC25H18F5N5O2
Molecular Weight515.44 g/mol
Exact Mass515.14
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1nn(C)c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C25H18F5N5O2/c1-13-21(24(36)32-22-15-11-14(25(28,29)30)8-9-19(15)34(2)33-22)35-10-4-7-20(23(35)31-13)37-12-16-17(26)5-3-6-18(16)27/h3-11H,12H2,1-2H3,(H,32,33,36)
InChIKeyWMACPBCFJUTWQR-UHFFFAOYSA-N
XLogP5.66
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.44
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118142633) is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)Nc1nn(C)c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WMACPBCFJUTWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F5N5O2/c1-13-21(24(36)32-22-15-11-14(25(28,29)30)8-9-19(15)34(2)33-22)35-10-4-7-20(23(35)31-13)37-12-16-17(26)5-3-6-18(16)27/h3-11H,12H2,1-2H3,(H,32,33,36).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 515.44 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[1-methyl-5-(trifluoromethyl)indazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118142633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).