2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine

C16H16N8O2 — CID 67995775

IUPAC2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine
SMILESCC1=NCCN1Nc1ccc([N+](=O)[O-])c(Nc2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C16H16N8O2/c1-10-17-6-7-23(10)22-15-5-4-14(24(25)26)16(20-15)19-12-2-3-13-11(8-12)9-18-21-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyXPXAOUODGDEGJA-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.67
Rot. Bonds5

About 2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine

2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine (PubChem CID 67995775) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine
PubChem CID67995775
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine
SMILESCC1=NCCN1Nc1ccc([N+](=O)[O-])c(Nc2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C16H16N8O2/c1-10-17-6-7-23(10)22-15-5-4-14(24(25)26)16(20-15)19-12-2-3-13-11(8-12)9-18-21-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyXPXAOUODGDEGJA-UHFFFAOYSA-N
XLogP2.67
TPSA124.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

N-[3-nitro-6-(3,3,5,5-tetramethylpiperazin-1-yl)-2-pyridinyl]-1H-indazol-5-amine
CID 67995863
N-(3-methyl-5-nitro-2-pyridinyl)-1H-indazol-5-amine
CID 133425970
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1H-indazol-5-amine
CID 40709731
N-(4-nitro-1-phenylpyrazol-5-yl)-1H-indazol-5-amine
CID 167789198
N-(2,6-difluoro-4-nitrophenyl)-1H-indazol-5-amine
CID 166232105
N-(6-methyl-3-nitro-2-pyridinyl)-2,3-dihydro-1H-indol-5-amine
CID 156690039
N-(1H-indazol-5-yl)-6-nitroquinazolin-4-amine
CID 23366750
1-[2-fluoro-4-[[6-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitro-2-pyridinyl]amino]phenyl]piperidin-4-ol
CID 67994687
2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80760716
N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide
CID 39832274
2-chloro-4-(1H-indazol-5-ylamino)pyrimidine-5-carbonitrile
CID 170994334
N-(4-fluoro-3-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114841187

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine (CID 67995775) is 2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine is CC1=NCCN1Nc1ccc([N+](=O)[O-])c(Nc2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine?
The InChIKey is XPXAOUODGDEGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2/c1-10-17-6-7-23(10)22-15-5-4-14(24(25)26)16(20-15)19-12-2-3-13-11(8-12)9-18-21-13/h2-5,8-9H,6-7H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of 2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine?
2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine has a molecular weight of 352.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-5-yl)-6-N-(2-methyl-4,5-dihydroimidazol-1-yl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 67995775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).