3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

C26H28N6O2S — CID 122584445

IUPAC3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2n[nH]c3ccc(C(=O)NCc4cccs4)cc23)ccc1N1CCN(C)CC1
InChIInChI=1S/C26H28N6O2S/c1-17-14-18(6-8-23(17)32-11-9-31(2)10-12-32)26(34)28-24-21-15-19(5-7-22(21)29-30-24)25(33)27-16-20-4-3-13-35-20/h3-8,13-15H,9-12,16H2,1-2H3,(H,27,33)(H2,28,29,30,34)
InChIKeyLGIIQEBWSFCJFO-UHFFFAOYSA-N
MW488.62 g/mol
LogP3.87
Rot. Bonds6

About 3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 122584445) has the molecular formula C26H28N6O2S and a molecular weight of 488.62 g/mol. Its IUPAC name is 3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID122584445
Molecular FormulaC26H28N6O2S
Molecular Weight488.62 g/mol
Exact Mass488.20
IUPAC Name3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2n[nH]c3ccc(C(=O)NCc4cccs4)cc23)ccc1N1CCN(C)CC1
InChIInChI=1S/C26H28N6O2S/c1-17-14-18(6-8-23(17)32-11-9-31(2)10-12-32)26(34)28-24-21-15-19(5-7-22(21)29-30-24)25(33)27-16-20-4-3-13-35-20/h3-8,13-15H,9-12,16H2,1-2H3,(H,27,33)(H2,28,29,30,34)
InChIKeyLGIIQEBWSFCJFO-UHFFFAOYSA-N
XLogP3.87
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.62
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide with MolForge

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Related Compounds

3-[(2,4-dimorpholin-4-ylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584476
N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584558
3-[(3-nitrobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584500
tert-butyl 4-[4-[[5-(thiophen-2-ylmethylcarbamoyl)-1H-indazol-3-yl]carbamoyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122595305
3-[(5-methoxypyridine-2-carbonyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide;hydrochloride
CID 122584375
tert-butyl 4-[4-[[5-(thiophen-2-ylmethylcarbamoyl)-1H-indazol-3-yl]carbamoyl]phenyl]piperidine-3-carboxylate
CID 122584471
N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584307
N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide
CID 122584430
5-methyl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 78859110
N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide
CID 24988747
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
CID 71842451

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 122584445) is 3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is Cc1cc(C(=O)Nc2n[nH]c3ccc(C(=O)NCc4cccs4)cc23)ccc1N1CCN(C)CC1.
What is the InChIKey of 3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is LGIIQEBWSFCJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2S/c1-17-14-18(6-8-23(17)32-11-9-31(2)10-12-32)26(34)28-24-21-15-19(5-7-22(21)29-30-24)25(33)27-16-20-4-3-13-35-20/h3-8,13-15H,9-12,16H2,1-2H3,(H,27,33)(H2,28,29,30,34).
What are the key properties of 3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 488.62 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 122584445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).