formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide

C30H35N7O3S — CID 158088924

IUPACformic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC(CC)N1CCN(Cc2nc(C(=O)Nc3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)cs2)CC1.O=CO
InChIInChI=1S/C29H33N7OS.CH2O2/c1-3-20(4-2)36-12-10-35(11-13-36)17-28-32-27(18-38-28)29(37)33-25-14-19(15-26-23(25)16-31-34-26)21-6-5-7-24-22(21)8-9-30-24;2-1-3/h5-9,14-16,18,20,30H,3-4,10-13,17H2,1-2H3,(H,31,34)(H,33,37);1H,(H,2,3)
InChIKeyFNVWLRPOPBIQFW-UHFFFAOYSA-N
MW573.72 g/mol
LogP5.43
Rot. Bonds8

About formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide

formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 158088924) has the molecular formula C30H35N7O3S and a molecular weight of 573.72 g/mol. Its IUPAC name is formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID158088924
Molecular FormulaC30H35N7O3S
Molecular Weight573.72 g/mol
Exact Mass573.25
IUPAC Nameformic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC(CC)N1CCN(Cc2nc(C(=O)Nc3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)cs2)CC1.O=CO
InChIInChI=1S/C29H33N7OS.CH2O2/c1-3-20(4-2)36-12-10-35(11-13-36)17-28-32-27(18-38-28)29(37)33-25-14-19(15-26-23(25)16-31-34-26)21-6-5-7-24-22(21)8-9-30-24;2-1-3/h5-9,14-16,18,20,30H,3-4,10-13,17H2,1-2H3,(H,31,34)(H,33,37);1H,(H,2,3)
InChIKeyFNVWLRPOPBIQFW-UHFFFAOYSA-N
XLogP5.43
TPSA130.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.72
LogP ≤ 55.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58356325
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carboxamide
CID 44540137
6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 44540140
1-ethyl-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 58356412
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-propan-2-yltriazole-4-carboxamide
CID 44539853
2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
CID 44540134
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1-methylimidazole-2-carboxamide
CID 44540326
1-[(2-chlorophenyl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyrazole-3-carboxamide
CID 53240846
N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67319097
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 44540863
2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide
CID 44540319
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide
CID 143903858

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide (CID 158088924) is formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide is CCC(CC)N1CCN(Cc2nc(C(=O)Nc3cc(-c4cccc5[nH]ccc45)cc4[nH]ncc34)cs2)CC1.O=CO.
What is the InChIKey of formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FNVWLRPOPBIQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7OS.CH2O2/c1-3-20(4-2)36-12-10-35(11-13-36)17-28-32-27(18-38-28)29(37)33-25-14-19(15-26-23(25)16-31-34-26)21-6-5-7-24-22(21)8-9-30-24;2-1-3/h5-9,14-16,18,20,30H,3-4,10-13,17H2,1-2H3,(H,31,34)(H,33,37);1H,(H,2,3).
What are the key properties of formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 573.72 g/mol, XLogP of 5.43, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[(4-pentan-3-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158088924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).