N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C21H20F4N4O3 — CID 154655793

IUPACN-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nc([C@H](F)[C@H]3CCOC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H20F4N4O3/c1-2-32-16-8-18-27-15(19(22)12-6-7-31-11-12)10-29(18)9-14(16)28-20(30)13-4-3-5-17(26-13)21(23,24)25/h3-5,8-10,12,19H,2,6-7,11H2,1H3,(H,28,30)/t12-,19+/m0/s1
InChIKeyAVGAAIYSLRJARA-HXPMCKFVSA-N
MW452.41 g/mol
LogP4.45
Rot. Bonds6

About N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154655793) has the molecular formula C21H20F4N4O3 and a molecular weight of 452.41 g/mol. Its IUPAC name is N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154655793
Molecular FormulaC21H20F4N4O3
Molecular Weight452.41 g/mol
Exact Mass452.15
IUPAC NameN-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nc([C@H](F)[C@H]3CCOC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H20F4N4O3/c1-2-32-16-8-18-27-15(19(22)12-6-7-31-11-12)10-29(18)9-14(16)28-20(30)13-4-3-5-17(26-13)21(23,24)25/h3-5,8-10,12,19H,2,6-7,11H2,1H3,(H,28,30)/t12-,19+/m0/s1
InChIKeyAVGAAIYSLRJARA-HXPMCKFVSA-N
XLogP4.45
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655358
N-(2-piperidin-4-yl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 166468246
2-[2-[(S)-cyclopropyl(hydroxy)methyl]-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 164976433
N-[2-[4-(hydroxymethyl)cyclohexyl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 166468053
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-methoxypyridine-2-carboxamide
CID 154655795
6-(difluoromethyl)-N-[7-(2-methylpropoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655195
6-(difluoromethyl)-N-[2-(oxolan-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655212
N-(2-piperidin-4-yl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175845324
N-[6-ethoxy-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437685
methyl 2-[(3S)-oxolan-3-yl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 137377480
methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 154655144

Frequently Asked Questions

What is the IUPAC name of N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154655793) is N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCOc1cc2nc([C@H](F)[C@H]3CCOC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is AVGAAIYSLRJARA-HXPMCKFVSA-N. The full InChI is InChI=1S/C21H20F4N4O3/c1-2-32-16-8-18-27-15(19(22)12-6-7-31-11-12)10-29(18)9-14(16)28-20(30)13-4-3-5-17(26-13)21(23,24)25/h3-5,8-10,12,19H,2,6-7,11H2,1H3,(H,28,30)/t12-,19+/m0/s1.
What are the key properties of N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 452.41 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).