(6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone

C15H13N5O3 — CID 136517156

IUPAC(6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone
SMILESO=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2cn[nH]c2C1
InChIInChI=1S/C15H13N5O3/c21-15(19-4-3-9-6-17-18-14(9)8-19)12-7-16-13-5-10(20(22)23)1-2-11(12)13/h1-2,5-7,16H,3-4,8H2,(H,17,18)
InChIKeyJWYHAISBXVQFPJ-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.00
Rot. Bonds2

About (6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone

(6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone (PubChem CID 136517156) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is (6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone
PubChem CID136517156
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name(6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone
SMILESO=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2cn[nH]c2C1
InChIInChI=1S/C15H13N5O3/c21-15(19-4-3-9-6-17-18-14(9)8-19)12-7-16-13-5-10(20(22)23)1-2-11(12)13/h1-2,5-7,16H,3-4,8H2,(H,17,18)
InChIKeyJWYHAISBXVQFPJ-UHFFFAOYSA-N
XLogP2.00
TPSA107.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone?
The IUPAC name of (6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone (CID 136517156) is (6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone.
What is the SMILES notation for (6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone?
The canonical SMILES for (6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone is O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCc2cn[nH]c2C1.
What is the InChIKey of (6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone?
The InChIKey is JWYHAISBXVQFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c21-15(19-4-3-9-6-17-18-14(9)8-19)12-7-16-13-5-10(20(22)23)1-2-11(12)13/h1-2,5-7,16H,3-4,8H2,(H,17,18).
What are the key properties of (6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone?
(6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone has a molecular weight of 311.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-nitro-1H-indol-3-yl)-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)methanone is sourced from PubChem (CID 136517156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).