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

C25H32N6O2 — CID 122584307

IUPACN-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C25H32N6O2/c1-17(2)10-11-26-24(32)19-6-9-22-21(16-19)23(29-28-22)27-25(33)18-4-7-20(8-5-18)31-14-12-30(3)13-15-31/h4-9,16-17H,10-15H2,1-3H3,(H,26,32)(H2,27,28,29,33)
InChIKeyHPUMSPHNYALPGV-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.34
Rot. Bonds7

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

N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide (PubChem CID 122584307) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
PubChem CID122584307
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C25H32N6O2/c1-17(2)10-11-26-24(32)19-6-9-22-21(16-19)23(29-28-22)27-25(33)18-4-7-20(8-5-18)31-14-12-30(3)13-15-31/h4-9,16-17H,10-15H2,1-3H3,(H,26,32)(H2,27,28,29,33)
InChIKeyHPUMSPHNYALPGV-UHFFFAOYSA-N
XLogP3.34
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584379
N-[(5-chlorothiophen-2-yl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584558
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
N-[(5-methylthiophen-2-yl)methyl]-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-indazole-5-carboxamide
CID 122584430
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-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
N-(3-methylbutyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109239859
3-[[4-[(3S)-3-methylpiperazin-1-yl]benzoyl]amino]-N-(1-phenylethyl)-1H-indazole-5-carboxamide
CID 122584561
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
methyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxylate
CID 68825056
1-N-(3-methylbutyl)-3-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056231
3-[(4-morpholin-4-ylbenzoyl)amino]-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-indazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 122584528

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide?
The IUPAC name of N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide (CID 122584307) is N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide is CC(C)CCNC(=O)c1ccc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2c1.
What is the InChIKey of N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide?
The InChIKey is HPUMSPHNYALPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17(2)10-11-26-24(32)19-6-9-22-21(16-19)23(29-28-22)27-25(33)18-4-7-20(8-5-18)31-14-12-30(3)13-15-31/h4-9,16-17H,10-15H2,1-3H3,(H,26,32)(H2,27,28,29,33).
What are the key properties of N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide?
N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide is sourced from PubChem (CID 122584307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).