1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine

C19H22N6O2 — CID 87013100

IUPAC1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2ncc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12
InChIInChI=1S/C19H22N6O2/c1-14-16-11-15(12-20-19(16)22(2)21-14)13-23-7-9-24(10-8-23)17-5-3-4-6-18(17)25(26)27/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyRORPVBRAPLMFFZ-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.51
Rot. Bonds4

About 1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine

1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine (PubChem CID 87013100) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine
PubChem CID87013100
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2ncc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12
InChIInChI=1S/C19H22N6O2/c1-14-16-11-15(12-20-19(16)22(2)21-14)13-23-7-9-24(10-8-23)17-5-3-4-6-18(17)25(26)27/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyRORPVBRAPLMFFZ-UHFFFAOYSA-N
XLogP2.51
TPSA80.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
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

[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 87017002
1-benzyl-4-(2-nitrophenyl)piperazine
CID 518171
[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 87015876
N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide
CID 87013788
1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-(2-nitrophenyl)piperazine;hydrochloride
CID 162329357
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-(2-nitrophenyl)piperazine
CID 133423532
5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 87013713
3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 87014914
1-adamantyl-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]methanone
CID 87015262
1-benzyl-4-(4-nitro-3-pyridinyl)piperazine
CID 71651530
2-[4-(2-nitrophenyl)piperazin-1-yl]acetonitrile
CID 16656297
2-[4-(2-nitrophenyl)piperazin-1-yl]ethanol;hydrochloride
CID 17384295

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine (CID 87013100) is 1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine is Cc1nn(C)c2ncc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cc12.
What is the InChIKey of 1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine?
The InChIKey is RORPVBRAPLMFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14-16-11-15(12-20-19(16)22(2)21-14)13-23-7-9-24(10-8-23)17-5-3-4-6-18(17)25(26)27/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine?
1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine has a molecular weight of 366.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 87013100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).