1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide

C27H26N4O2S — CID 25070584

IUPAC1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide
SMILESCc1ccc(-c2ccccc2C(=O)N2CSC[C@H]2CNC(=O)c2nn(C)c3ccccc23)cc1
InChIInChI=1S/C27H26N4O2S/c1-18-11-13-19(14-12-18)21-7-3-4-8-22(21)27(33)31-17-34-16-20(31)15-28-26(32)25-23-9-5-6-10-24(23)30(2)29-25/h3-14,20H,15-17H2,1-2H3,(H,28,32)/t20-/m1/s1
InChIKeyDQIZXNUGHPDKJG-HXUWFJFHSA-N
MW470.60 g/mol
LogP4.49
Rot. Bonds5

About 1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide

1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide (PubChem CID 25070584) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is 1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide
PubChem CID25070584
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC Name1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide
SMILESCc1ccc(-c2ccccc2C(=O)N2CSC[C@H]2CNC(=O)c2nn(C)c3ccccc23)cc1
InChIInChI=1S/C27H26N4O2S/c1-18-11-13-19(14-12-18)21-7-3-4-8-22(21)27(33)31-17-34-16-20(31)15-28-26(32)25-23-9-5-6-10-24(23)30(2)29-25/h3-14,20H,15-17H2,1-2H3,(H,28,32)/t20-/m1/s1
InChIKeyDQIZXNUGHPDKJG-HXUWFJFHSA-N
XLogP4.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 58124325
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AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
App-butinaca
CID 154735174
Adb-fubinaca
CID 58124399
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indazole-3-carboxamide
CID 5311254
Adb-chminaca
CID 68894304
N-(1-(Aminocarbonyl)-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
CID 70969900
N-((1S)-2-Amino-2-oxo-1-(phenylmethyl)ethyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
CID 44206137
N-1-naphthalenyl-1-pentyl-1H-indazole-3-carboxamide
CID 119058030
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 9954929

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide (CID 25070584) is 1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide is Cc1ccc(-c2ccccc2C(=O)N2CSC[C@H]2CNC(=O)c2nn(C)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide?
The InChIKey is DQIZXNUGHPDKJG-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-18-11-13-19(14-12-18)21-7-3-4-8-22(21)27(33)31-17-34-16-20(31)15-28-26(32)25-23-9-5-6-10-24(23)30(2)29-25/h3-14,20H,15-17H2,1-2H3,(H,28,32)/t20-/m1/s1.
What are the key properties of 1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide?
1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(4R)-3-[2-(4-methylphenyl)benzoyl]-1,3-thiazolidin-4-yl]methyl]indazole-3-carboxamide is sourced from PubChem (CID 25070584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).