N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide

C25H25N5O3S — CID 122584430

IUPACN-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3[nH]nc(NC(=O)c4ccc(N5CCOCC5)cc4)c3c2)s1
InChIInChI=1S/C25H25N5O3S/c1-16-2-8-20(34-16)15-26-24(31)18-5-9-22-21(14-18)23(29-28-22)27-25(32)17-3-6-19(7-4-17)30-10-12-33-13-11-30/h2-9,14H,10-13,15H2,1H3,(H,26,31)(H2,27,28,29,32)
InChIKeyBHIRKZDEGNOOFW-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.95
Rot. Bonds6

About N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide (PubChem CID 122584430) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide
PubChem CID122584430
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3[nH]nc(NC(=O)c4ccc(N5CCOCC5)cc4)c3c2)s1
InChIInChI=1S/C25H25N5O3S/c1-16-2-8-20(34-16)15-26-24(31)18-5-9-22-21(14-18)23(29-28-22)27-25(32)17-3-6-19(7-4-17)30-10-12-33-13-11-30/h2-9,14H,10-13,15H2,1H3,(H,26,31)(H2,27,28,29,32)
InChIKeyBHIRKZDEGNOOFW-UHFFFAOYSA-N
XLogP3.95
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584558
3-[(2,4-dimorpholin-4-ylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584476
3-[(4-morpholin-4-ylbenzoyl)amino]-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 122584528
N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584307
N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584379
N-[(4-fluorophenyl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847194
3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584445
N-[(5-methylthiophen-2-yl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 86804623
[[[3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carbonyl]amino]-(2H-triazol-4-yl)methyl] 2,2,2-trifluoroacetate
CID 138644240
N-[(3-fluorophenyl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847193
tert-butyl 4-[4-[[5-(thiophen-2-ylmethylcarbamoyl)-1H-indazol-3-yl]carbamoyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122595305
N-[(5-methylthiophen-2-yl)methyl]-1H-indazole-6-carboxamide
CID 61242487

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide (CID 122584430) is N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide is Cc1ccc(CNC(=O)c2ccc3[nH]nc(NC(=O)c4ccc(N5CCOCC5)cc4)c3c2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide?
The InChIKey is BHIRKZDEGNOOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-16-2-8-20(34-16)15-26-24(31)18-5-9-22-21(14-18)23(29-28-22)27-25(32)17-3-6-19(7-4-17)30-10-12-33-13-11-30/h2-9,14H,10-13,15H2,1H3,(H,26,31)(H2,27,28,29,32).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide is sourced from PubChem (CID 122584430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).