N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide

C40H43F4N9O5 — CID 154655079

IUPACN-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
SMILESCOCC(C)(C)c1cn2cc(NC(=O)c3cccc(C(F)F)n3)c(OC(C)Cc3cc(C(=O)Nc4cn5cc(C6CC6)nc5cc4OC(C)C)nn3C(F)F)cc2n1
InChIInChI=1S/C40H43F4N9O5/c1-21(2)57-31-14-34-46-28(23-10-11-23)16-51(34)17-29(31)48-38(55)27-13-24(53(50-27)39(43)44)12-22(3)58-32-15-35-49-33(40(4,5)20-56-6)19-52(35)18-30(32)47-37(54)26-9-7-8-25(45-26)36(41)42/h7-9,13-19,21-23,36,39H,10-12,20H2,1-6H3,(H,47,54)(H,48,55)
InChIKeyMVCNBJLSTAYDRC-UHFFFAOYSA-N
MW805.83 g/mol
LogP8.01
Rot. Bonds16

About N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide

N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide (PubChem CID 154655079) has the molecular formula C40H43F4N9O5 and a molecular weight of 805.83 g/mol. Its IUPAC name is N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
PubChem CID154655079
Molecular FormulaC40H43F4N9O5
Molecular Weight805.83 g/mol
Exact Mass805.33
IUPAC NameN-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
SMILESCOCC(C)(C)c1cn2cc(NC(=O)c3cccc(C(F)F)n3)c(OC(C)Cc3cc(C(=O)Nc4cn5cc(C6CC6)nc5cc4OC(C)C)nn3C(F)F)cc2n1
InChIInChI=1S/C40H43F4N9O5/c1-21(2)57-31-14-34-46-28(23-10-11-23)16-51(34)17-29(31)48-38(55)27-13-24(53(50-27)39(43)44)12-22(3)58-32-15-35-49-33(40(4,5)20-56-6)19-52(35)18-30(32)47-37(54)26-9-7-8-25(45-26)36(41)42/h7-9,13-19,21-23,36,39H,10-12,20H2,1-6H3,(H,47,54)(H,48,55)
InChIKeyMVCNBJLSTAYDRC-UHFFFAOYSA-N
XLogP8.01
TPSA151.20 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500805.83
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 25127854
6-(difluoromethyl)-N-[7-ethoxy-2-[[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655942
6-(difluoromethyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655118
6-(difluoromethyl)-N-[7-ethoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655130
6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655542
6-(difluoromethyl)-N-[(4R)-7-ethoxy-2-{[(3R)-oxolan-3-yl]methyl}imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 171666113
N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)-2-fluorophenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 25127855
N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-1-(2-methoxyethyl)-3-methyl-1H-pyrazole-5-carboxamide
CID 57505628
1,3-dimethyl-N-[3-({2-[(trifluoroacetyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)phenyl]-1H-pyrazole-5-carboxamide
CID 57749269
3-methoxy-5-[7-[(2-methylpyrazol-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 146275467
6-(difluoromethyl)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655081
6-(difluoromethyl)-N-[8-ethoxy-2-(3-oxabicyclo[3.1.0]hexan-6-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655085

Frequently Asked Questions

What is the IUPAC name of N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide (CID 154655079) is N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide is COCC(C)(C)c1cn2cc(NC(=O)c3cccc(C(F)F)n3)c(OC(C)Cc3cc(C(=O)Nc4cn5cc(C6CC6)nc5cc4OC(C)C)nn3C(F)F)cc2n1.
What is the InChIKey of N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?
The InChIKey is MVCNBJLSTAYDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43F4N9O5/c1-21(2)57-31-14-34-46-28(23-10-11-23)16-51(34)17-29(31)48-38(55)27-13-24(53(50-27)39(43)44)12-22(3)58-32-15-35-49-33(40(4,5)20-56-6)19-52(35)18-30(32)47-37(54)26-9-7-8-25(45-26)36(41)42/h7-9,13-19,21-23,36,39H,10-12,20H2,1-6H3,(H,47,54)(H,48,55).
What are the key properties of N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?
N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide has a molecular weight of 805.83 g/mol, XLogP of 8.01, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[1-[3-[(2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl)carbamoyl]-1-(difluoromethyl)pyrazol-5-yl]propan-2-yloxy]-2-(1-methoxy-2-methylpropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).