2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol

C20H20N4O3 — CID 91896030

IUPAC2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol
SMILESO=NC1CCc2cc(-c3cn(C(CO)CO)nc3-c3ccncc3)ccc21
InChIInChI=1S/C20H20N4O3/c25-11-16(12-26)24-10-18(20(22-24)13-5-7-21-8-6-13)15-1-3-17-14(9-15)2-4-19(17)23-27/h1,3,5-10,16,19,25-26H,2,4,11-12H2
InChIKeyHVPGJUNTQVBAGO-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.89
Rot. Bonds6

About 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol

2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol (PubChem CID 91896030) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol
PubChem CID91896030
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol
SMILESO=NC1CCc2cc(-c3cn(C(CO)CO)nc3-c3ccncc3)ccc21
InChIInChI=1S/C20H20N4O3/c25-11-16(12-26)24-10-18(20(22-24)13-5-7-21-8-6-13)15-1-3-17-14(9-15)2-4-19(17)23-27/h1,3,5-10,16,19,25-26H,2,4,11-12H2
InChIKeyHVPGJUNTQVBAGO-UHFFFAOYSA-N
XLogP2.89
TPSA100.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol?
The IUPAC name of 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol (CID 91896030) is 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol is O=NC1CCc2cc(-c3cn(C(CO)CO)nc3-c3ccncc3)ccc21.
What is the InChIKey of 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol?
The InChIKey is HVPGJUNTQVBAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-11-16(12-26)24-10-18(20(22-24)13-5-7-21-8-6-13)15-1-3-17-14(9-15)2-4-19(17)23-27/h1,3,5-10,16,19,25-26H,2,4,11-12H2.
What are the key properties of 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol?
2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol has a molecular weight of 364.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propane-1,3-diol is sourced from PubChem (CID 91896030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).