8-[(2,6-difluorobenzyl)oxy]-N-{2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1,3-dihydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C21H19F4N7O4 — CID 76283196

IUPACN-[2-[2-(difluoromethyl)tetrazol-5-yl]-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC=C3F)F)C(=O)NC(CO)(CO)C4=NN(N=N4)C(F)F
InChIInChI=1S/C21H19F4N7O4/c1-11-16(18(35)27-21(9-33,10-34)19-28-30-32(29-19)20(24)25)31-7-3-6-15(17(31)26-11)36-8-12-13(22)4-2-5-14(12)23/h2-7,20,33-34H,8-10H2,1H3,(H,27,35)
InChIKeyRQMYHEQVPBMHQY-UHFFFAOYSA-N
MW509.40 g/mol
LogP2.50
Rot. Bonds9

About 8-[(2,6-difluorobenzyl)oxy]-N-{2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1,3-dihydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorobenzyl)oxy]-N-{2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1,3-dihydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 76283196) has the molecular formula C21H19F4N7O4 and a molecular weight of 509.40 g/mol. Its IUPAC name is N-[2-[2-(difluoromethyl)tetrazol-5-yl]-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorobenzyl)oxy]-N-{2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1,3-dihydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID76283196
Molecular FormulaC21H19F4N7O4
Molecular Weight509.40 g/mol
Exact Mass509.14
IUPAC NameN-[2-[2-(difluoromethyl)tetrazol-5-yl]-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC=C3F)F)C(=O)NC(CO)(CO)C4=NN(N=N4)C(F)F
InChIInChI=1S/C21H19F4N7O4/c1-11-16(18(35)27-21(9-33,10-34)19-28-30-32(29-19)20(24)25)31-7-3-6-15(17(31)26-11)36-8-12-13(22)4-2-5-14(12)23/h2-7,20,33-34H,8-10H2,1H3,(H,27,35)
InChIKeyRQMYHEQVPBMHQY-UHFFFAOYSA-N
XLogP2.50
TPSA140.00 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms36
Complexity745

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.40
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Related Compounds

4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid {2-[2-(2-fluoro-ethoxy)-phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 86666030
4-(azetidine-1-carbonyl)-N-[2-[2-(3-fluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414845
5-N-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468453
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468648
5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381454
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381553
4-N-ethyl-5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414843
5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414844
5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165414856
US10399985, Example 39
CID 118288256
US10246466, Example 42
CID 118256553
4-N-ethyl-5-N-[2-[3-(2-hydroxyethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414854

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorobenzyl)oxy]-N-{2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1,3-dihydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorobenzyl)oxy]-N-{2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1,3-dihydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 76283196) is N-[2-[2-(difluoromethyl)tetrazol-5-yl]-1,3-dihydroxypropan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorobenzyl)oxy]-N-{2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1,3-dihydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorobenzyl)oxy]-N-{2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1,3-dihydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CC1=C(N2C=CC=C(C2=N1)OCC3=C(C=CC=C3F)F)C(=O)NC(CO)(CO)C4=NN(N=N4)C(F)F.
What is the InChIKey of 8-[(2,6-difluorobenzyl)oxy]-N-{2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1,3-dihydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RQMYHEQVPBMHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N7O4/c1-11-16(18(35)27-21(9-33,10-34)19-28-30-32(29-19)20(24)25)31-7-3-6-15(17(31)26-11)36-8-12-13(22)4-2-5-14(12)23/h2-7,20,33-34H,8-10H2,1H3,(H,27,35).
What are the key properties of 8-[(2,6-difluorobenzyl)oxy]-N-{2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1,3-dihydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorobenzyl)oxy]-N-{2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1,3-dihydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 509.40 g/mol, XLogP of 2.50, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorobenzyl)oxy]-N-{2-[2-(difluoromethyl)-2H-tetrazol-5-yl]-1,3-dihydroxypropan-2-yl}-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 76283196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).