N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine

C20H25N7O2 — CID 67995863

IUPACN-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine
SMILESCC1(C)CN(c2ccc([N+](=O)[O-])c(Nc3ccc4[nH]ncc4c3)n2)CC(C)(C)N1
InChIInChI=1S/C20H25N7O2/c1-19(2)11-26(12-20(3,4)25-19)17-8-7-16(27(28)29)18(23-17)22-14-5-6-15-13(9-14)10-21-24-15/h5-10,25H,11-12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeySONDXJHOXFREPA-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.58
Rot. Bonds4

About N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine

N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine (PubChem CID 67995863) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine
PubChem CID67995863
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine
SMILESCC1(C)CN(c2ccc([N+](=O)[O-])c(Nc3ccc4[nH]ncc4c3)n2)CC(C)(C)N1
InChIInChI=1S/C20H25N7O2/c1-19(2)11-26(12-20(3,4)25-19)17-8-7-16(27(28)29)18(23-17)22-14-5-6-15-13(9-14)10-21-24-15/h5-10,25H,11-12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeySONDXJHOXFREPA-UHFFFAOYSA-N
XLogP3.58
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine
CID 67995775
N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine
CID 133425970
N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine
CID 166232105
N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine
CID 23366750
N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine
CID 167789198
N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide
CID 39832274
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine
CID 40709731
3-N-[6-(4-methylpiperazin-1-yl)-3-nitro-2-pyridinyl]benzene-1,3-diamine
CID 67995022
2-N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2,3-diamine
CID 122654637
N-[4-(4-aminopiperidin-1-yl)-3-fluorophenyl]-3-nitro-6-piperazin-1-ylpyridin-2-amine
CID 67995714
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
3,3-dimethyl-1-(6-methyl-5-nitro-2-pyridinyl)piperazine
CID 82994052

Frequently Asked Questions

What is the IUPAC name of N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine?
The IUPAC name of N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine (CID 67995863) is N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine?
The canonical SMILES for N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine is CC1(C)CN(c2ccc([N+](=O)[O-])c(Nc3ccc4[nH]ncc4c3)n2)CC(C)(C)N1.
What is the InChIKey of N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine?
The InChIKey is SONDXJHOXFREPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-19(2)11-26(12-20(3,4)25-19)17-8-7-16(27(28)29)18(23-17)22-14-5-6-15-13(9-14)10-21-24-15/h5-10,25H,11-12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine?
N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine has a molecular weight of 395.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine is sourced from PubChem (CID 67995863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).