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

C27H34N6O2 — CID 122584379

IUPACN-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(C(=O)NCC5CCCCC5)cc34)cc2)CC1
InChIInChI=1S/C27H34N6O2/c1-32-13-15-33(16-14-32)22-10-7-20(8-11-22)27(35)29-25-23-17-21(9-12-24(23)30-31-25)26(34)28-18-19-5-3-2-4-6-19/h7-12,17,19H,2-6,13-16,18H2,1H3,(H,28,34)(H2,29,30,31,35)
InChIKeyCSBLEGFUDPZLRF-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.88
Rot. Bonds6

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

N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide (PubChem CID 122584379) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
PubChem CID122584379
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(C(=O)NCC5CCCCC5)cc34)cc2)CC1
InChIInChI=1S/C27H34N6O2/c1-32-13-15-33(16-14-32)22-10-7-20(8-11-22)27(35)29-25-23-17-21(9-12-24(23)30-31-25)26(34)28-18-19-5-3-2-4-6-19/h7-12,17,19H,2-6,13-16,18H2,1H3,(H,28,34)(H2,29,30,31,35)
InChIKeyCSBLEGFUDPZLRF-UHFFFAOYSA-N
XLogP3.88
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide
CID 122584307
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
4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
3-[[3-methyl-4-(4-methylpiperazin-1-yl)benzoyl]amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584445
N-[6-(1-benzylpiperidin-1-ium-1-yl)oxy-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 89158415
methyl 3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxylate
CID 68825056
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
N-[5-[(3,5-difluorophenyl)methyl]-6-(4-hydroxy-3-methylphenyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 137123725
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide
CID 129094014

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide (CID 122584379) is N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide is CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(C(=O)NCC5CCCCC5)cc34)cc2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide?
The InChIKey is CSBLEGFUDPZLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-32-13-15-33(16-14-32)22-10-7-20(8-11-22)27(35)29-25-23-17-21(9-12-24(23)30-31-25)26(34)28-18-19-5-3-2-4-6-19/h7-12,17,19H,2-6,13-16,18H2,1H3,(H,28,34)(H2,29,30,31,35).
What are the key properties of N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide?
N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-indazole-5-carboxamide is sourced from PubChem (CID 122584379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).