6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C41H37F5N8O5 — CID 154655839

IUPAC6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(C3(OC)CC3)cn2cc1NC(=O)c1cc(CCOc2cc3nc(C45CC(F)(C4)C5)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(C(F)F)n1
InChIInChI=1S/C41H37F5N8O5/c1-3-58-29-13-34-52-32(41(57-2)8-9-41)18-54(34)15-27(29)50-38(56)26-12-22(11-25(48-26)36(44)45)7-10-59-30-14-33-51-31(39-19-40(46,20-39)21-39)17-53(33)16-28(30)49-37(55)24-6-4-5-23(47-24)35(42)43/h4-6,11-18,35-36H,3,7-10,19-21H2,1-2H3,(H,49,55)(H,50,56)
InChIKeyJUEXEQKOFRUVMI-UHFFFAOYSA-N
MW816.79 g/mol
LogP7.95
Rot. Bonds15

About 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 154655839) has the molecular formula C41H37F5N8O5 and a molecular weight of 816.79 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID154655839
Molecular FormulaC41H37F5N8O5
Molecular Weight816.79 g/mol
Exact Mass816.28
IUPAC Name6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(C3(OC)CC3)cn2cc1NC(=O)c1cc(CCOc2cc3nc(C45CC(F)(C4)C5)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(C(F)F)n1
InChIInChI=1S/C41H37F5N8O5/c1-3-58-29-13-34-52-32(41(57-2)8-9-41)18-54(34)15-27(29)50-38(56)26-12-22(11-25(48-26)36(44)45)7-10-59-30-14-33-51-31(39-19-40(46,20-39)21-39)17-53(33)16-28(30)49-37(55)24-6-4-5-23(47-24)35(42)43/h4-6,11-18,35-36H,3,7-10,19-21H2,1-2H3,(H,49,55)(H,50,56)
InChIKeyJUEXEQKOFRUVMI-UHFFFAOYSA-N
XLogP7.95
TPSA146.27 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.79
LogP ≤ 57.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 154655839) is 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is CCOc1cc2nc(C3(OC)CC3)cn2cc1NC(=O)c1cc(CCOc2cc3nc(C45CC(F)(C4)C5)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is JUEXEQKOFRUVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37F5N8O5/c1-3-58-29-13-34-52-32(41(57-2)8-9-41)18-54(34)15-27(29)50-38(56)26-12-22(11-25(48-26)36(44)45)7-10-59-30-14-33-51-31(39-19-40(46,20-39)21-39)17-53(33)16-28(30)49-37(55)24-6-4-5-23(47-24)35(42)43/h4-6,11-18,35-36H,3,7-10,19-21H2,1-2H3,(H,49,55)(H,50,56).
What are the key properties of 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 816.79 g/mol, XLogP of 7.95, 15 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(1-methoxycyclopropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).