4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione

C35H38Cl2N10O3 — CID 159175083

IUPAC4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CNC(=O)c1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C19H20ClN5O.C16H18ClN5O2/c1-21-19(26)13-2-4-15(5-3-13)24-6-8-25(9-7-24)18-11-14(20)10-17-16(18)12-22-23-17;1-21-15(23)14(19-16(21)24)9-2-4-22(5-3-9)13-7-10(17)6-12-11(13)8-18-20-12/h2-5,10-12H,6-9H2,1H3,(H,21,26)(H,22,23);6-9,14H,2-5H2,1H3,(H,18,20)(H,19,24)
InChIKeyKMEFOUBIZSFOSB-UHFFFAOYSA-N
MW717.66 g/mol
LogP4.89
Rot. Bonds5

About 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione

4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 159175083) has the molecular formula C35H38Cl2N10O3 and a molecular weight of 717.66 g/mol. Its IUPAC name is 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione
PubChem CID159175083
Molecular FormulaC35H38Cl2N10O3
Molecular Weight717.66 g/mol
Exact Mass716.25
IUPAC Name4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CNC(=O)c1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1
InChIInChI=1S/C19H20ClN5O.C16H18ClN5O2/c1-21-19(26)13-2-4-15(5-3-13)24-6-8-25(9-7-24)18-11-14(20)10-17-16(18)12-22-23-17;1-21-15(23)14(19-16(21)24)9-2-4-22(5-3-9)13-7-10(17)6-12-11(13)8-18-20-12/h2-5,10-12H,6-9H2,1H3,(H,21,26)(H,22,23);6-9,14H,2-5H2,1H3,(H,18,20)(H,19,24)
InChIKeyKMEFOUBIZSFOSB-UHFFFAOYSA-N
XLogP4.89
TPSA145.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500717.66
LogP ≤ 54.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
CID 127027479
1-[2-[2-[[3-(3-chlorophenyl)-1H-indazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334351
CID 124185778
CID 124185778
N-[[4-[3-(3-chloro-4-isocyanophenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorophenyl]methyl]-1H-indazole-5-carboxamide
CID 153512992
6-chloro-4-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-1H-indazole;N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 158651246
N-[[1-(6-chloro-1H-indazol-4-yl)-3-methylazetidin-3-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 162110041
N-[[2-(6-chloro-1H-indazol-4-yl)-6-methyl-2-azaspiro[3.3]heptan-6-yl]methyl]acetamide;4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione;(1R,5S)-6-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 162240068
5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione
CID 121326779
5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121326781
4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide
CID 121327098
2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]acetamide
CID 124185823
2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-[(3R,4S)-4-phenylpyrrolidin-3-yl]acetamide
CID 124185827

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione (CID 159175083) is 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione is CN1C(=O)NC(C2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CNC(=O)c1ccc(N2CCN(c3cc(Cl)cc4[nH]ncc34)CC2)cc1.
What is the InChIKey of 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is KMEFOUBIZSFOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O.C16H18ClN5O2/c1-21-19(26)13-2-4-15(5-3-13)24-6-8-25(9-7-24)18-11-14(20)10-17-16(18)12-22-23-17;1-21-15(23)14(19-16(21)24)9-2-4-22(5-3-9)13-7-10(17)6-12-11(13)8-18-20-12/h2-5,10-12H,6-9H2,1H3,(H,21,26)(H,22,23);6-9,14H,2-5H2,1H3,(H,18,20)(H,19,24).
What are the key properties of 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 717.66 g/mol, XLogP of 4.89, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N-methylbenzamide;5-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 159175083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).