N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C50H40FN11O7S — CID 170361625

IUPACN-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cn4cc(C(C)(C)OCc5cc(-c6nc(C(=O)Nc7cn8cc(CS(C)(=O)=O)nc8cc7-c7ccccc7)co6)ccn5)nc4cc3-c3ccncc3F)co2)ccn1
InChIInChI=1S/C50H40FN11O7S/c1-29-16-31(10-14-53-29)48-58-42(26-67-48)47(64)57-40-23-62-24-43(60-45(62)19-37(40)35-12-13-52-20-38(35)51)50(2,3)69-25-33-17-32(11-15-54-33)49-59-41(27-68-49)46(63)56-39-22-61-21-34(28-70(4,65)66)55-44(61)18-36(39)30-8-6-5-7-9-30/h5-24,26-27H,25,28H2,1-4H3,(H,56,63)(H,57,64)
InChIKeyAXDSYBBRQINWTC-UHFFFAOYSA-N
MW958.00 g/mol
LogP8.76
Rot. Bonds14

About N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 170361625) has the molecular formula C50H40FN11O7S and a molecular weight of 958.00 g/mol. Its IUPAC name is N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID170361625
Molecular FormulaC50H40FN11O7S
Molecular Weight958.00 g/mol
Exact Mass957.28
IUPAC NameN-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cn4cc(C(C)(C)OCc5cc(-c6nc(C(=O)Nc7cn8cc(CS(C)(=O)=O)nc8cc7-c7ccccc7)co6)ccn5)nc4cc3-c3ccncc3F)co2)ccn1
InChIInChI=1S/C50H40FN11O7S/c1-29-16-31(10-14-53-29)48-58-42(26-67-48)47(64)57-40-23-62-24-43(60-45(62)19-37(40)35-12-13-52-20-38(35)51)50(2,3)69-25-33-17-32(11-15-54-33)49-59-41(27-68-49)46(63)56-39-22-61-21-34(28-70(4,65)66)55-44(61)18-36(39)30-8-6-5-7-9-30/h5-24,26-27H,25,28H2,1-4H3,(H,56,63)(H,57,64)
InChIKeyAXDSYBBRQINWTC-UHFFFAOYSA-N
XLogP8.76
TPSA226.90 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500958.00
LogP ≤ 58.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 170361625) is N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cn4cc(C(C)(C)OCc5cc(-c6nc(C(=O)Nc7cn8cc(CS(C)(=O)=O)nc8cc7-c7ccccc7)co6)ccn5)nc4cc3-c3ccncc3F)co2)ccn1.
What is the InChIKey of N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is AXDSYBBRQINWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40FN11O7S/c1-29-16-31(10-14-53-29)48-58-42(26-67-48)47(64)57-40-23-62-24-43(60-45(62)19-37(40)35-12-13-52-20-38(35)51)50(2,3)69-25-33-17-32(11-15-54-33)49-59-41(27-68-49)46(63)56-39-22-61-21-34(28-70(4,65)66)55-44(61)18-36(39)30-8-6-5-7-9-30/h5-24,26-27H,25,28H2,1-4H3,(H,56,63)(H,57,64).
What are the key properties of N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 958.00 g/mol, XLogP of 8.76, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-fluoro-4-pyridinyl)-2-[2-[[4-[4-[[2-(methylsulfonylmethyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]methoxy]propan-2-yl]imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170361625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).