4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine

C22H23N5O — CID 91896035

IUPAC4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine
SMILESO=NC1CCc2cc(-c3cn(C4CCNCC4)nc3-c3ccncc3)ccc21
InChIInChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,21,24H,2,4,7-8,11-12H2
InChIKeyRCDPVKCEMFLESQ-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.29
Rot. Bonds4

About 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine

4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine (PubChem CID 91896035) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine
PubChem CID91896035
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine
SMILESO=NC1CCc2cc(-c3cn(C4CCNCC4)nc3-c3ccncc3)ccc21
InChIInChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,21,24H,2,4,7-8,11-12H2
InChIKeyRCDPVKCEMFLESQ-UHFFFAOYSA-N
XLogP4.29
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine?
The IUPAC name of 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine (CID 91896035) is 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine?
The canonical SMILES for 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine is O=NC1CCc2cc(-c3cn(C4CCNCC4)nc3-c3ccncc3)ccc21.
What is the InChIKey of 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine?
The InChIKey is RCDPVKCEMFLESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-26-21-4-2-16-13-17(1-3-19(16)21)20-14-27(18-7-11-24-12-8-18)25-22(20)15-5-9-23-10-6-15/h1,3,5-6,9-10,13-14,18,21,24H,2,4,7-8,11-12H2.
What are the key properties of 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine?
4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine has a molecular weight of 373.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-piperidin-4-ylpyrazol-3-yl]pyridine is sourced from PubChem (CID 91896035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).