N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine

C18H13N5O2 — CID 166551404

IUPACN-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine
SMILESO=[N+]([O-])c1ccccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C18H13N5O2/c24-23(25)17-4-2-1-3-16(17)20-13-5-6-15-14(11-13)18(22-21-15)12-7-9-19-10-8-12/h1-11,20H,(H,21,22)
InChIKeyMPOBSHNWEIVNQO-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.28
Rot. Bonds4

About N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine

N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine (PubChem CID 166551404) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine
PubChem CID166551404
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC NameN-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine
SMILESO=[N+]([O-])c1ccccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C18H13N5O2/c24-23(25)17-4-2-1-3-16(17)20-13-5-6-15-14(11-13)18(22-21-15)12-7-9-19-10-8-12/h1-11,20H,(H,21,22)
InChIKeyMPOBSHNWEIVNQO-UHFFFAOYSA-N
XLogP4.28
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine?
The IUPAC name of N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine (CID 166551404) is N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine.
What is the SMILES notation for N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine?
The canonical SMILES for N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine is O=[N+]([O-])c1ccccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine?
The InChIKey is MPOBSHNWEIVNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c24-23(25)17-4-2-1-3-16(17)20-13-5-6-15-14(11-13)18(22-21-15)12-7-9-19-10-8-12/h1-11,20H,(H,21,22).
What are the key properties of N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine?
N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine has a molecular weight of 331.34 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-3-pyridin-4-yl-1H-indazol-5-amine is sourced from PubChem (CID 166551404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).