N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C54H47F3N6O8S2 — CID 90013365

IUPACN-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)COc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)cc1.O=C(NCc1ccc(S(=O)(=O)c2cc(C(F)(F)F)ccc2OCc2ccccc2)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C29H22F3N3O4S.C25H25N3O4S/c30-29(31,32)22-8-11-26(39-18-20-4-2-1-3-5-20)27(15-22)40(37,38)23-9-6-19(7-10-23)16-34-28(36)25-14-21-17-33-13-12-24(21)35-25;1-18(2)17-32-21-6-10-23(11-7-21)33(30,31)22-8-3-19(4-9-22)15-27-25(29)20-5-12-24-26-13-14-28(24)16-20/h1-15,17,35H,16,18H2,(H,34,36);3-14,16,18H,15,17H2,1-2H3,(H,27,29)
InChIKeyOAJGQNDCWWUDMW-UHFFFAOYSA-N
MW1029.13 g/mol
LogP10.06
Rot. Bonds16

About N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 90013365) has the molecular formula C54H47F3N6O8S2 and a molecular weight of 1029.13 g/mol. Its IUPAC name is N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID90013365
Molecular FormulaC54H47F3N6O8S2
Molecular Weight1029.13 g/mol
Exact Mass1028.28
IUPAC NameN-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCC(C)COc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)cc1.O=C(NCc1ccc(S(=O)(=O)c2cc(C(F)(F)F)ccc2OCc2ccccc2)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C29H22F3N3O4S.C25H25N3O4S/c30-29(31,32)22-8-11-26(39-18-20-4-2-1-3-5-20)27(15-22)40(37,38)23-9-6-19(7-10-23)16-34-28(36)25-14-21-17-33-13-12-24(21)35-25;1-18(2)17-32-21-6-10-23(11-7-21)33(30,31)22-8-3-19(4-9-22)15-27-25(29)20-5-12-24-26-13-14-28(24)16-20/h1-15,17,35H,16,18H2,(H,34,36);3-14,16,18H,15,17H2,1-2H3,(H,27,29)
InChIKeyOAJGQNDCWWUDMW-UHFFFAOYSA-N
XLogP10.06
TPSA190.92 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.13
LogP ≤ 510.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 90013365) is N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is CC(C)COc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)cc1.O=C(NCc1ccc(S(=O)(=O)c2cc(C(F)(F)F)ccc2OCc2ccccc2)cc1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is OAJGQNDCWWUDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F3N3O4S.C25H25N3O4S/c30-29(31,32)22-8-11-26(39-18-20-4-2-1-3-5-20)27(15-22)40(37,38)23-9-6-19(7-10-23)16-34-28(36)25-14-21-17-33-13-12-24(21)35-25;1-18(2)17-32-21-6-10-23(11-7-21)33(30,31)22-8-3-19(4-9-22)15-27-25(29)20-5-12-24-26-13-14-28(24)16-20/h1-15,17,35H,16,18H2,(H,34,36);3-14,16,18H,15,17H2,1-2H3,(H,27,29).
What are the key properties of N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 1029.13 g/mol, XLogP of 10.06, 16 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2-methylpropoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 90013365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).