N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine

C80H93FN12O12S2 — CID 167701524

IUPACN-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C(C)(C)C(=O)N(C)CCO)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C(C)(C)C(=O)N(C)CCOc3cc(-c4ccc5c(c4N)CCC5)ccn3)n2)cc1.Nc1c(-c2ccnc(F)c2)ccc2c1CCC2
InChIInChI=1S/C40H46N6O6S.C26H34N4O6S.C14H13FN2/c1-40(2,39(47)44(3)23-24-52-36-25-31(19-21-42-36)35-18-13-30-7-6-8-34(30)38(35)41)46-22-20-37(43-46)53(48,49)45(26-28-9-14-32(50-4)15-10-28)27-29-11-16-33(51-5)17-12-29;1-26(2,25(32)28(3)16-17-31)30-15-14-24(27-30)37(33,34)29(18-20-6-10-22(35-4)11-7-20)19-21-8-12-23(36-5)13-9-21;15-13-8-10(6-7-17-13)12-5-4-9-2-1-3-11(9)14(12)16/h9-22,25H,6-8,23-24,26-27,41H2,1-5H3;6-15,31H,16-19H2,1-5H3;4-8H,1-3,16H2
InChIKeyYLPVRQAWVVIHTG-UHFFFAOYSA-N
MW1497.83 g/mol
LogP11.13
Rot. Bonds28

About N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine

N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine (PubChem CID 167701524) has the molecular formula C80H93FN12O12S2 and a molecular weight of 1497.83 g/mol. Its IUPAC name is N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound NameN-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
PubChem CID167701524
Molecular FormulaC80H93FN12O12S2
Molecular Weight1497.83 g/mol
Exact Mass1496.65
IUPAC NameN-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C(C)(C)C(=O)N(C)CCO)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C(C)(C)C(=O)N(C)CCOc3cc(-c4ccc5c(c4N)CCC5)ccn3)n2)cc1.Nc1c(-c2ccnc(F)c2)ccc2c1CCC2
InChIInChI=1S/C40H46N6O6S.C26H34N4O6S.C14H13FN2/c1-40(2,39(47)44(3)23-24-52-36-25-31(19-21-42-36)35-18-13-30-7-6-8-34(30)38(35)41)46-22-20-37(43-46)53(48,49)45(26-28-9-14-32(50-4)15-10-28)27-29-11-16-33(51-5)17-12-29;1-26(2,25(32)28(3)16-17-31)30-15-14-24(27-30)37(33,34)29(18-20-6-10-22(35-4)11-7-20)19-21-8-12-23(36-5)13-9-21;15-13-8-10(6-7-17-13)12-5-4-9-2-1-3-11(9)14(12)16/h9-22,25H,6-8,23-24,26-27,41H2,1-5H3;6-15,31H,16-19H2,1-5H3;4-8H,1-3,16H2
InChIKeyYLPVRQAWVVIHTG-UHFFFAOYSA-N
XLogP11.13
TPSA295.22 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001497.83
LogP ≤ 511.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine with MolForge

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Related Compounds

2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol
CID 153357282
2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide
CID 137499468
sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide
CID 165154248
N,N-bis[(4-methoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide;1-(2-hydroxyethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 159654114
3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-1-[1-[[4-[2-(carboxymethyl)-5-fluoro-3-propan-2-ylphenyl]-2-pyridinyl]oxy]-2-methylpropan-2-yl]-4-fluoropyrazole-5-carboxylic acid;1-[1-[[4-[2-(carboxymethyl)-5-fluoro-3-propan-2-ylphenyl]-2-pyridinyl]oxy]-2-methylpropan-2-yl]-4-fluoro-3-sulfamoylpyrazole-5-carboxylic acid
CID 167594659
2-[2-[2-[2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-fluoro-5-[(4-methylpiperazin-1-yl)methyl]pyrazol-1-yl]-2-methylpropoxy]-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]acetic acid;2-[4-fluoro-2-[2-[2-[4-fluoro-5-[(4-methylpiperazin-1-yl)methyl]-3-sulfamoylpyrazol-1-yl]-2-methylpropoxy]-4-pyridinyl]-6-propan-2-ylphenyl]acetic acid
CID 167642869
1-[[1-(2-hydroxyprop-2-enyl)pyrazol-3-yl]sulfonimidoyl]-3-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea
CID 155224128
[2-[[4-(2-amino-4-pyridinyl)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]-3-hydroxy-4,4-dimethylpentyl] carbamate
CID 135311697
benzyl 4-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 146388650
1-tert-butyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 154630922
N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
CID 171783920
1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 171783939

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine (CID 167701524) is N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C(C)(C)C(=O)N(C)CCO)n2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C(C)(C)C(=O)N(C)CCOc3cc(-c4ccc5c(c4N)CCC5)ccn3)n2)cc1.Nc1c(-c2ccnc(F)c2)ccc2c1CCC2.
What is the InChIKey of N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The InChIKey is YLPVRQAWVVIHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N6O6S.C26H34N4O6S.C14H13FN2/c1-40(2,39(47)44(3)23-24-52-36-25-31(19-21-42-36)35-18-13-30-7-6-8-34(30)38(35)41)46-22-20-37(43-46)53(48,49)45(26-28-9-14-32(50-4)15-10-28)27-29-11-16-33(51-5)17-12-29;1-26(2,25(32)28(3)16-17-31)30-15-14-24(27-30)37(33,34)29(18-20-6-10-22(35-4)11-7-20)19-21-8-12-23(36-5)13-9-21;15-13-8-10(6-7-17-13)12-5-4-9-2-1-3-11(9)14(12)16/h9-22,25H,6-8,23-24,26-27,41H2,1-5H3;6-15,31H,16-19H2,1-5H3;4-8H,1-3,16H2.
What are the key properties of N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine has a molecular weight of 1497.83 g/mol, XLogP of 11.13, 28 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethyl]-2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,2-dimethylpropanamide;2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-N,2-dimethylpropanamide;5-(2-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 167701524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).