N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide

C22H25N7O2 — CID 167501120

IUPACN-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
SMILESCc1cc(NC(=O)c2ccc(N3CCNCC3)c3cn(C)nc23)c(O)c2cn(C)nc12
InChIInChI=1S/C22H25N7O2/c1-13-10-17(21(30)16-12-28(3)25-19(13)16)24-22(31)14-4-5-18(29-8-6-23-7-9-29)15-11-27(2)26-20(14)15/h4-5,10-12,23,30H,6-9H2,1-3H3,(H,24,31)
InChIKeyBJERKWFCTDOUCY-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.14
Rot. Bonds3

About N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide

N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide (PubChem CID 167501120) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
PubChem CID167501120
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
SMILESCc1cc(NC(=O)c2ccc(N3CCNCC3)c3cn(C)nc23)c(O)c2cn(C)nc12
InChIInChI=1S/C22H25N7O2/c1-13-10-17(21(30)16-12-28(3)25-19(13)16)24-22(31)14-4-5-18(29-8-6-23-7-9-29)15-11-27(2)26-20(14)15/h4-5,10-12,23,30H,6-9H2,1-3H3,(H,24,31)
InChIKeyBJERKWFCTDOUCY-UHFFFAOYSA-N
XLogP2.14
TPSA100.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(7-acetyl-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
CID 167501576
2-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-4-piperazin-1-ylindazole-7-carboxamide
CID 167501947
N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
CID 167501050
N-[4-fluoro-2-(methoxymethyl)-1,3-benzoxazol-6-yl]-2-methyl-4-piperazin-1-ylindazole-7-carboxamide
CID 167500840
N-(6,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-2-methyl-7-piperazin-1-ylindazole-4-carboxamide
CID 170380616
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-[(3R)-3-piperazin-1-ylpyrrolidin-1-yl]indazole-7-carboxamide
CID 167501070
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)indazole-7-carboxamide
CID 166523450
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-yl-2-propylindazole-7-carboxamide
CID 167500977
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(4-methylpiperazin-1-yl)indazole-7-carboxamide
CID 167501617
tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
CID 167501543
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylindazole-7-carboxamide;propane
CID 167500912
2,7-dimethyl-4-pyrrolidin-1-ylindazole
CID 167502193

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide?
The IUPAC name of N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide (CID 167501120) is N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide is Cc1cc(NC(=O)c2ccc(N3CCNCC3)c3cn(C)nc23)c(O)c2cn(C)nc12.
What is the InChIKey of N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide?
The InChIKey is BJERKWFCTDOUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-13-10-17(21(30)16-12-28(3)25-19(13)16)24-22(31)14-4-5-18(29-8-6-23-7-9-29)15-11-27(2)26-20(14)15/h4-5,10-12,23,30H,6-9H2,1-3H3,(H,24,31).
What are the key properties of N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide?
N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,7-dimethylindazol-5-yl)-2-methyl-4-piperazin-1-ylindazole-7-carboxamide is sourced from PubChem (CID 167501120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).