N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C76H64N12O11S3 — CID 90013440

IUPACN-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc2cc(S(=O)(=O)c3ccc(CNC(=O)c4ccc5nccn5c4)cc3)ccc2c1.O=C(NCc1ccc(S(=O)(=O)c2ccc(N3CCOCC3)cc2)cc1)c1cnc2nccn2c1.O=C(NCc1ccc(S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C26H20N4O3S.C26H21N3O4S.C24H23N5O4S/c31-25(22-17-29-26-27-13-14-30(26)18-22)28-16-19-9-11-23(12-10-19)34(32,33)24-8-4-7-21(15-24)20-5-2-1-3-6-20;1-33-22-7-4-20-15-24(10-5-19(20)14-22)34(31,32)23-8-2-18(3-9-23)16-28-26(30)21-6-11-25-27-12-13-29(25)17-21;30-23(19-16-27-24-25-9-10-29(24)17-19)26-15-18-1-5-21(6-2-18)34(31,32)22-7-3-20(4-8-22)28-11-13-33-14-12-28/h1-15,17-18H,16H2,(H,28,31);2-15,17H,16H2,1H3,(H,28,30);1-10,16-17H,11-15H2,(H,26,30)
InChIKeyCJWIQKLTOJZLBZ-UHFFFAOYSA-N
MW1417.62 g/mol
LogP10.75
Rot. Bonds18

About N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 90013440) has the molecular formula C76H64N12O11S3 and a molecular weight of 1417.62 g/mol. Its IUPAC name is N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID90013440
Molecular FormulaC76H64N12O11S3
Molecular Weight1417.62 g/mol
Exact Mass1416.40
IUPAC NameN-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc2cc(S(=O)(=O)c3ccc(CNC(=O)c4ccc5nccn5c4)cc3)ccc2c1.O=C(NCc1ccc(S(=O)(=O)c2ccc(N3CCOCC3)cc2)cc1)c1cnc2nccn2c1.O=C(NCc1ccc(S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C26H20N4O3S.C26H21N3O4S.C24H23N5O4S/c31-25(22-17-29-26-27-13-14-30(26)18-22)28-16-19-9-11-23(12-10-19)34(32,33)24-8-4-7-21(15-24)20-5-2-1-3-6-20;1-33-22-7-4-20-15-24(10-5-19(20)14-22)34(31,32)23-8-2-18(3-9-23)16-28-26(30)21-6-11-25-27-12-13-29(25)17-21;30-23(19-16-27-24-25-9-10-29(24)17-19)26-15-18-1-5-21(6-2-18)34(31,32)22-7-3-20(4-8-22)28-11-13-33-14-12-28/h1-15,17-18H,16H2,(H,28,31);2-15,17H,16H2,1H3,(H,28,30);1-10,16-17H,11-15H2,(H,26,30)
InChIKeyCJWIQKLTOJZLBZ-UHFFFAOYSA-N
XLogP10.75
TPSA289.10 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001417.62
LogP ≤ 510.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 90013440) is N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is COc1ccc2cc(S(=O)(=O)c3ccc(CNC(=O)c4ccc5nccn5c4)cc3)ccc2c1.O=C(NCc1ccc(S(=O)(=O)c2ccc(N3CCOCC3)cc2)cc1)c1cnc2nccn2c1.O=C(NCc1ccc(S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1)c1cnc2nccn2c1.
What is the InChIKey of N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is CJWIQKLTOJZLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3S.C26H21N3O4S.C24H23N5O4S/c31-25(22-17-29-26-27-13-14-30(26)18-22)28-16-19-9-11-23(12-10-19)34(32,33)24-8-4-7-21(15-24)20-5-2-1-3-6-20;1-33-22-7-4-20-15-24(10-5-19(20)14-22)34(31,32)23-8-2-18(3-9-23)16-28-26(30)21-6-11-25-27-12-13-29(25)17-21;30-23(19-16-27-24-25-9-10-29(24)17-19)26-15-18-1-5-21(6-2-18)34(31,32)22-7-3-20(4-8-22)28-11-13-33-14-12-28/h1-15,17-18H,16H2,(H,28,31);2-15,17H,16H2,1H3,(H,28,30);1-10,16-17H,11-15H2,(H,26,30).
What are the key properties of N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 1417.62 g/mol, XLogP of 10.75, 18 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-methoxynaphthalen-2-yl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(4-morpholin-4-ylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90013440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).