N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide

C30H23N5OS — CID 156760484

IUPACN-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
SMILESCc1nc(NC(=O)Cc2cccc3ccccc23)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C30H23N5OS/c1-19-29(22-12-14-25-26(34-35-27(25)17-22)15-13-23-10-4-5-16-31-23)37-30(32-19)33-28(36)18-21-9-6-8-20-7-2-3-11-24(20)21/h2-17H,18H2,1H3,(H,34,35)(H,32,33,36)/b15-13+
InChIKeyZNBVGMGRNUIAEN-FYWRMAATSA-N
MW501.62 g/mol
LogP6.89
Rot. Bonds6

About N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide

N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide (PubChem CID 156760484) has the molecular formula C30H23N5OS and a molecular weight of 501.62 g/mol. Its IUPAC name is N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
PubChem CID156760484
Molecular FormulaC30H23N5OS
Molecular Weight501.62 g/mol
Exact Mass501.16
IUPAC NameN-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
SMILESCc1nc(NC(=O)Cc2cccc3ccccc23)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C30H23N5OS/c1-19-29(22-12-14-25-26(34-35-27(25)17-22)15-13-23-10-4-5-16-31-23)37-30(32-19)33-28(36)18-21-9-6-8-20-7-2-3-11-24(20)21/h2-17H,18H2,1H3,(H,34,35)(H,32,33,36)/b15-13+
InChIKeyZNBVGMGRNUIAEN-FYWRMAATSA-N
XLogP6.89
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.62
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ihmt-trk-284
CID 156760472
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3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
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3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 24936729
3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 24936732
4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
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CID 59252854
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]benzamide
CID 153531518
N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 156760470
N-[5-[3-(5-fluoro-3-pyridinyl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 156760471
2-amino-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 156760473

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide (CID 156760484) is N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide is Cc1nc(NC(=O)Cc2cccc3ccccc23)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is ZNBVGMGRNUIAEN-FYWRMAATSA-N. The full InChI is InChI=1S/C30H23N5OS/c1-19-29(22-12-14-25-26(34-35-27(25)17-22)15-13-23-10-4-5-16-31-23)37-30(32-19)33-28(36)18-21-9-6-8-20-7-2-3-11-24(20)21/h2-17H,18H2,1H3,(H,34,35)(H,32,33,36)/b15-13+.
What are the key properties of N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?
N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 501.62 g/mol, XLogP of 6.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 156760484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).