3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide

C38H33F5N8O4 — CID 155010163

IUPAC3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2nc(C(F)F)ccc2CCOc2cc3nc(C4CC4)c(F)n3cc2NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CC3)nc12
InChIInChI=1S/C38H33F5N8O4/c1-2-54-29-14-22(16-50-17-26(19-6-7-19)47-36(29)50)44-38(53)32-21(10-11-24(46-32)34(41)42)12-13-55-28-15-30-49-31(20-8-9-20)35(43)51(30)18-27(28)48-37(52)25-5-3-4-23(45-25)33(39)40/h3-5,10-11,14-20,33-34H,2,6-9,12-13H2,1H3,(H,44,53)(H,48,52)
InChIKeyYEIMQLBPQWDXSV-UHFFFAOYSA-N
MW760.72 g/mol
LogP8.07
Rot. Bonds14

About 3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide

3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide (PubChem CID 155010163) has the molecular formula C38H33F5N8O4 and a molecular weight of 760.72 g/mol. Its IUPAC name is 3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide
PubChem CID155010163
Molecular FormulaC38H33F5N8O4
Molecular Weight760.72 g/mol
Exact Mass760.25
IUPAC Name3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2nc(C(F)F)ccc2CCOc2cc3nc(C4CC4)c(F)n3cc2NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CC3)nc12
InChIInChI=1S/C38H33F5N8O4/c1-2-54-29-14-22(16-50-17-26(19-6-7-19)47-36(29)50)44-38(53)32-21(10-11-24(46-32)34(41)42)12-13-55-28-15-30-49-31(20-8-9-20)35(43)51(30)18-27(28)48-37(52)25-5-3-4-23(45-25)33(39)40/h3-5,10-11,14-20,33-34H,2,6-9,12-13H2,1H3,(H,44,53)(H,48,52)
InChIKeyYEIMQLBPQWDXSV-UHFFFAOYSA-N
XLogP8.07
TPSA137.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.72
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

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
N-[2-cyclopropyl-7-[(2S)-2-(2-oxo-1-pyridinyl)propoxy]imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
CID 154655340
6-(difluoromethyl)-N-[7-(2-methylpropoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655195
2-[2-cyclopropyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
CID 164979534
methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 154655144
6-(difluoromethyl)-N-[2-(oxolan-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655212
N-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyrazin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide
CID 154655470
6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998213
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164961282
6-(difluoromethyl)-N-[7-ethoxy-2-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;methyl 1-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 164993718
N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 164996643
6-(difluoromethyl)-N-(2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl)pyridine-2-carboxamide
CID 154655902

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide (CID 155010163) is 3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide is CCOc1cc(NC(=O)c2nc(C(F)F)ccc2CCOc2cc3nc(C4CC4)c(F)n3cc2NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CC3)nc12.
What is the InChIKey of 3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide?
The InChIKey is YEIMQLBPQWDXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33F5N8O4/c1-2-54-29-14-22(16-50-17-26(19-6-7-19)47-36(29)50)44-38(53)32-21(10-11-24(46-32)34(41)42)12-13-55-28-15-30-49-31(20-8-9-20)35(43)51(30)18-27(28)48-37(52)25-5-3-4-23(45-25)33(39)40/h3-5,10-11,14-20,33-34H,2,6-9,12-13H2,1H3,(H,44,53)(H,48,52).
What are the key properties of 3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide?
3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide has a molecular weight of 760.72 g/mol, XLogP of 8.07, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-cyclopropyl-6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-3-fluoroimidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-(2-cyclopropyl-8-ethoxyimidazo[1,2-a]pyridin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155010163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).