N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C48H42F3N7O6S3 — CID 90013271

IUPACN-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(S(=O)(=O)c3ccc(CNC(=O)c4ccc5nccn5c4)cc3)cc2)CC1.O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C26H27N5O3S.C22H15F3N2O3S2/c1-29-14-16-30(17-15-29)22-5-9-24(10-6-22)35(33,34)23-7-2-20(3-8-23)18-28-26(32)21-4-11-25-27-12-13-31(25)19-21;23-22(24,25)16-2-1-3-18(11-16)32(29,30)17-6-4-14(5-7-17)12-27-21(28)19-10-15-8-9-26-13-20(15)31-19/h2-13,19H,14-18H2,1H3,(H,28,32);1-11,13H,12H2,(H,27,28)
InChIKeyFVENWNNKQMJJSJ-UHFFFAOYSA-N
MW966.10 g/mol
LogP7.93
Rot. Bonds11

About N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 90013271) has the molecular formula C48H42F3N7O6S3 and a molecular weight of 966.10 g/mol. Its IUPAC name is N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID90013271
Molecular FormulaC48H42F3N7O6S3
Molecular Weight966.10 g/mol
Exact Mass965.23
IUPAC NameN-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(S(=O)(=O)c3ccc(CNC(=O)c4ccc5nccn5c4)cc3)cc2)CC1.O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cc2ccncc2s1
InChIInChI=1S/C26H27N5O3S.C22H15F3N2O3S2/c1-29-14-16-30(17-15-29)22-5-9-24(10-6-22)35(33,34)23-7-2-20(3-8-23)18-28-26(32)21-4-11-25-27-12-13-31(25)19-21;23-22(24,25)16-2-1-3-18(11-16)32(29,30)17-6-4-14(5-7-17)12-27-21(28)19-10-15-8-9-26-13-20(15)31-19/h2-13,19H,14-18H2,1H3,(H,28,32);1-11,13H,12H2,(H,27,28)
InChIKeyFVENWNNKQMJJSJ-UHFFFAOYSA-N
XLogP7.93
TPSA163.15 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500966.10
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 90013271) is N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is CN1CCN(c2ccc(S(=O)(=O)c3ccc(CNC(=O)c4ccc5nccn5c4)cc3)cc2)CC1.O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1cc2ccncc2s1.
What is the InChIKey of N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is FVENWNNKQMJJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S.C22H15F3N2O3S2/c1-29-14-16-30(17-15-29)22-5-9-24(10-6-22)35(33,34)23-7-2-20(3-8-23)18-28-26(32)21-4-11-25-27-12-13-31(25)19-21;23-22(24,25)16-2-1-3-18(11-16)32(29,30)17-6-4-14(5-7-17)12-27-21(28)19-10-15-8-9-26-13-20(15)31-19/h2-13,19H,14-18H2,1H3,(H,28,32);1-11,13H,12H2,(H,27,28).
What are the key properties of N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 966.10 g/mol, XLogP of 7.93, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-methylpiperazin-1-yl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90013271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).