N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide

C51H44N10O4S — CID 69188499

IUPACN-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide
SMILESO=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2[nH]nc(-n3ccnc3)c2c1.O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2[nH]nc(NCc3nccs3)c2c1
InChIInChI=1S/C26H23N5O2S.C25H21N5O2/c32-24(14-18-6-9-21(10-7-18)33-17-19-4-2-1-3-5-19)29-20-8-11-23-22(15-20)26(31-30-23)28-16-25-27-12-13-34-25;31-24(14-18-6-9-21(10-7-18)32-16-19-4-2-1-3-5-19)27-20-8-11-23-22(15-20)25(29-28-23)30-13-12-26-17-30/h1-13,15H,14,16-17H2,(H,29,32)(H2,28,30,31);1-13,15,17H,14,16H2,(H,27,31)(H,28,29)
InChIKeyWUVPLYKNUCXSLV-UHFFFAOYSA-N
MW893.05 g/mol
LogP9.90
Rot. Bonds16

About N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide

N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide (PubChem CID 69188499) has the molecular formula C51H44N10O4S and a molecular weight of 893.05 g/mol. Its IUPAC name is N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide
PubChem CID69188499
Molecular FormulaC51H44N10O4S
Molecular Weight893.05 g/mol
Exact Mass892.33
IUPAC NameN-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide
SMILESO=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2[nH]nc(-n3ccnc3)c2c1.O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2[nH]nc(NCc3nccs3)c2c1
InChIInChI=1S/C26H23N5O2S.C25H21N5O2/c32-24(14-18-6-9-21(10-7-18)33-17-19-4-2-1-3-5-19)29-20-8-11-23-22(15-20)26(31-30-23)28-16-25-27-12-13-34-25;31-24(14-18-6-9-21(10-7-18)32-16-19-4-2-1-3-5-19)27-20-8-11-23-22(15-20)25(29-28-23)30-13-12-26-17-30/h1-13,15H,14,16-17H2,(H,29,32)(H2,28,30,31);1-13,15,17H,14,16H2,(H,27,31)(H,28,29)
InChIKeyWUVPLYKNUCXSLV-UHFFFAOYSA-N
XLogP9.90
TPSA176.76 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500893.05
LogP ≤ 59.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide?
The IUPAC name of N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide (CID 69188499) is N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide.
What is the SMILES notation for N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide?
The canonical SMILES for N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide is O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2[nH]nc(-n3ccnc3)c2c1.O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2[nH]nc(NCc3nccs3)c2c1.
What is the InChIKey of N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide?
The InChIKey is WUVPLYKNUCXSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S.C25H21N5O2/c32-24(14-18-6-9-21(10-7-18)33-17-19-4-2-1-3-5-19)29-20-8-11-23-22(15-20)26(31-30-23)28-16-25-27-12-13-34-25;31-24(14-18-6-9-21(10-7-18)32-16-19-4-2-1-3-5-19)27-20-8-11-23-22(15-20)25(29-28-23)30-13-12-26-17-30/h1-13,15H,14,16-17H2,(H,29,32)(H2,28,30,31);1-13,15,17H,14,16H2,(H,27,31)(H,28,29).
What are the key properties of N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide?
N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide has a molecular weight of 893.05 g/mol, XLogP of 9.90, 16 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-yl-1H-indazol-5-yl)-2-(4-phenylmethoxyphenyl)acetamide;2-(4-phenylmethoxyphenyl)-N-[3-(1,3-thiazol-2-ylmethylamino)-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 69188499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).