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

C25H25ClN6O2S — CID 122584558

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(C(=O)NCc5ccc(Cl)s5)cc34)cc2)CC1
InChIInChI=1S/C25H25ClN6O2S/c1-31-10-12-32(13-11-31)18-5-2-16(3-6-18)25(34)28-23-20-14-17(4-8-21(20)29-30-23)24(33)27-15-19-7-9-22(26)35-19/h2-9,14H,10-13,15H2,1H3,(H,27,33)(H2,28,29,30,34)
InChIKeyRNRKZJHNSMKIGA-UHFFFAOYSA-N
MW509.04 g/mol
LogP4.21
Rot. Bonds6

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

N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide (PubChem CID 122584558) has the molecular formula C25H25ClN6O2S and a molecular weight of 509.04 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
PubChem CID122584558
Molecular FormulaC25H25ClN6O2S
Molecular Weight509.04 g/mol
Exact Mass508.14
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(C(=O)NCc5ccc(Cl)s5)cc34)cc2)CC1
InChIInChI=1S/C25H25ClN6O2S/c1-31-10-12-32(13-11-31)18-5-2-16(3-6-18)25(34)28-23-20-14-17(4-8-21(20)29-30-23)24(33)27-15-19-7-9-22(26)35-19/h2-9,14H,10-13,15H2,1H3,(H,27,33)(H2,28,29,30,34)
InChIKeyRNRKZJHNSMKIGA-UHFFFAOYSA-N
XLogP4.21
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.04
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide
CID 122584430
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
3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584445
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
3-[(2,4-dimorpholin-4-ylbenzoyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584476
N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide
CID 24988747
3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11847024
N-[(2,4-difluorophenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
CID 11846528
3-[(4-morpholin-4-ylbenzoyl)amino]-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 122584528
methyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxylate
CID 68825056
4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide (CID 122584558) is N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide is CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(C(=O)NCc5ccc(Cl)s5)cc34)cc2)CC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide?
The InChIKey is RNRKZJHNSMKIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2S/c1-31-10-12-32(13-11-31)18-5-2-16(3-6-18)25(34)28-23-20-14-17(4-8-21(20)29-30-23)24(33)27-15-19-7-9-22(26)35-19/h2-9,14H,10-13,15H2,1H3,(H,27,33)(H2,28,29,30,34).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide has a molecular weight of 509.04 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide is sourced from PubChem (CID 122584558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).