5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide

C24H27N5O2 — CID 163670368

IUPAC5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)cc1N1CCc2cc(C#N)ccc21
InChIInChI=1S/C24H27N5O2/c1-28-21(29-5-4-16-6-14(13-25)2-3-20(16)29)9-19(27-28)23(30)26-22-17-7-15-8-18(22)12-24(31,10-15)11-17/h2-3,6,9,15,17-18,22,31H,4-5,7-8,10-12H2,1H3,(H,26,30)
InChIKeyJBZZAMWGOYLVDS-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.66
Rot. Bonds3

About 5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide

5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide (PubChem CID 163670368) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
PubChem CID163670368
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)cc1N1CCc2cc(C#N)ccc21
InChIInChI=1S/C24H27N5O2/c1-28-21(29-5-4-16-6-14(13-25)2-3-20(16)29)9-19(27-28)23(30)26-22-17-7-15-8-18(22)12-24(31,10-15)11-17/h2-3,6,9,15,17-18,22,31H,4-5,7-8,10-12H2,1H3,(H,26,30)
InChIKeyJBZZAMWGOYLVDS-UHFFFAOYSA-N
XLogP2.66
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide (CID 163670368) is 5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)cc1N1CCc2cc(C#N)ccc21.
What is the InChIKey of 5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is JBZZAMWGOYLVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-28-21(29-5-4-16-6-14(13-25)2-3-20(16)29)9-19(27-28)23(30)26-22-17-7-15-8-18(22)12-24(31,10-15)11-17/h2-3,6,9,15,17-18,22,31H,4-5,7-8,10-12H2,1H3,(H,26,30).
What are the key properties of 5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide?
5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 163670368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).