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

C40H40F2N8O6 — CID 154655795

IUPACN-(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
SMILESCCOc1cc2nc(C3CC3)cn2cc1NC(=O)c1cc(CCOc2cc3nc(C4CCOCC4)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(OC)n1
InChIInChI=1S/C40H40F2N8O6/c1-3-55-33-17-35-44-29(24-7-8-24)19-49(35)21-31(33)48-40(52)28-15-23(16-37(46-28)53-2)9-14-56-34-18-36-45-30(25-10-12-54-13-11-25)20-50(36)22-32(34)47-39(51)27-6-4-5-26(43-27)38(41)42/h4-6,15-22,24-25,38H,3,7-14H2,1-2H3,(H,47,51)(H,48,52)
InChIKeyCEWZWIDEOJXVJZ-UHFFFAOYSA-N
MW766.81 g/mol
LogP7.01
Rot. Bonds14

About 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

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 (PubChem CID 154655795) has the molecular formula C40H40F2N8O6 and a molecular weight of 766.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID154655795
Molecular FormulaC40H40F2N8O6
Molecular Weight766.81 g/mol
Exact Mass766.30
IUPAC NameN-(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
SMILESCCOc1cc2nc(C3CC3)cn2cc1NC(=O)c1cc(CCOc2cc3nc(C4CCOCC4)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(OC)n1
InChIInChI=1S/C40H40F2N8O6/c1-3-55-33-17-35-44-29(24-7-8-24)19-49(35)21-31(33)48-40(52)28-15-23(16-37(46-28)53-2)9-14-56-34-18-36-45-30(25-10-12-54-13-11-25)20-50(36)22-32(34)47-39(51)27-6-4-5-26(43-27)38(41)42/h4-6,15-22,24-25,38H,3,7-14H2,1-2H3,(H,47,51)(H,48,52)
InChIKeyCEWZWIDEOJXVJZ-UHFFFAOYSA-N
XLogP7.01
TPSA155.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.81
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1cc2nc(C3CC3)cn2cc1NC(=O)c1cc(CCOc2cc3nc(C4CCOCC4)cn3cc2NC(=O)c2cccc(C(F)F)n2)cc(OC)n1.
What is the InChIKey of 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?
The InChIKey is CEWZWIDEOJXVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40F2N8O6/c1-3-55-33-17-35-44-29(24-7-8-24)19-49(35)21-31(33)48-40(52)28-15-23(16-37(46-28)53-2)9-14-56-34-18-36-45-30(25-10-12-54-13-11-25)20-50(36)22-32(34)47-39(51)27-6-4-5-26(43-27)38(41)42/h4-6,15-22,24-25,38H,3,7-14H2,1-2H3,(H,47,51)(H,48,52).
What are the key properties of 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?
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 has a molecular weight of 766.81 g/mol, XLogP of 7.01, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154655795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).