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

C23H25N5O — CID 91896038

IUPAC4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-(piperidin-4-ylmethyl)pyrazol-3-yl]pyridine
SMILESO=NC1CCc2cc(-c3cn(CC4CCNCC4)nc3-c3ccncc3)ccc21
InChIInChI=1S/C23H25N5O/c29-27-22-4-2-18-13-19(1-3-20(18)22)21-15-28(14-16-5-9-24-10-6-16)26-23(21)17-7-11-25-12-8-17/h1,3,7-8,11-13,15-16,22,24H,2,4-6,9-10,14H2
InChIKeyXGNQOONJLJPCDZ-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.37
Rot. Bonds5

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

4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-(piperidin-4-ylmethyl)pyrazol-3-yl]pyridine (PubChem CID 91896038) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-(piperidin-4-ylmethyl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-(piperidin-4-ylmethyl)pyrazol-3-yl]pyridine
PubChem CID91896038
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-(piperidin-4-ylmethyl)pyrazol-3-yl]pyridine
SMILESO=NC1CCc2cc(-c3cn(CC4CCNCC4)nc3-c3ccncc3)ccc21
InChIInChI=1S/C23H25N5O/c29-27-22-4-2-18-13-19(1-3-20(18)22)21-15-28(14-16-5-9-24-10-6-16)26-23(21)17-7-11-25-12-8-17/h1,3,7-8,11-13,15-16,22,24H,2,4-6,9-10,14H2
InChIKeyXGNQOONJLJPCDZ-UHFFFAOYSA-N
XLogP4.37
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.37
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-ylmethyl)pyrazol-3-yl]pyridine?
The IUPAC name of 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-(piperidin-4-ylmethyl)pyrazol-3-yl]pyridine (CID 91896038) is 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-(piperidin-4-ylmethyl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-(piperidin-4-ylmethyl)pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-(piperidin-4-ylmethyl)pyrazol-3-yl]pyridine is O=NC1CCc2cc(-c3cn(CC4CCNCC4)nc3-c3ccncc3)ccc21.
What is the InChIKey of 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-(piperidin-4-ylmethyl)pyrazol-3-yl]pyridine?
The InChIKey is XGNQOONJLJPCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c29-27-22-4-2-18-13-19(1-3-20(18)22)21-15-28(14-16-5-9-24-10-6-16)26-23(21)17-7-11-25-12-8-17/h1,3,7-8,11-13,15-16,22,24H,2,4-6,9-10,14H2.
What are the key properties of 4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-(piperidin-4-ylmethyl)pyrazol-3-yl]pyridine?
4-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-1-(piperidin-4-ylmethyl)pyrazol-3-yl]pyridine has a molecular weight of 387.49 g/mol, XLogP of 4.37, 5 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-ylmethyl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 91896038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).