5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide

C22H25N5O — CID 166774184

IUPAC5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide
SMILESC/C=C/NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C22H25N5O/c1-2-8-24-22(28)21-19-12-17(6-7-20(19)25-26-21)18-11-16(13-23-14-18)15-27-9-4-3-5-10-27/h2,6-8,11-14H,3-5,9-10,15H2,1H3,(H,24,28)(H,25,26)/b8-2+
InChIKeyPXIFJTMNJFPGNT-KRXBUXKQSA-N
MW375.48 g/mol
LogP3.87
Rot. Bonds5

About 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide (PubChem CID 166774184) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide
PubChem CID166774184
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide
SMILESC/C=C/NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C22H25N5O/c1-2-8-24-22(28)21-19-12-17(6-7-20(19)25-26-21)18-11-16(13-23-14-18)15-27-9-4-3-5-10-27/h2,6-8,11-14H,3-5,9-10,15H2,1H3,(H,24,28)(H,25,26)/b8-2+
InChIKeyPXIFJTMNJFPGNT-KRXBUXKQSA-N
XLogP3.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide (CID 166774184) is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide is C/C=C/NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide?
The InChIKey is PXIFJTMNJFPGNT-KRXBUXKQSA-N. The full InChI is InChI=1S/C22H25N5O/c1-2-8-24-22(28)21-19-12-17(6-7-20(19)25-26-21)18-11-16(13-23-14-18)15-27-9-4-3-5-10-27/h2,6-8,11-14H,3-5,9-10,15H2,1H3,(H,24,28)(H,25,26)/b8-2+.
What are the key properties of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide?
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[(E)-prop-1-enyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166774184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).