N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

C28H27N7O — CID 20789092

IUPACN-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C28H27N7O/c36-28(31-23-11-13-35(14-12-23)17-19-5-2-1-3-6-19)22-8-4-7-20(15-22)26-24-16-21(27-29-18-30-34-27)9-10-25(24)32-33-26/h1-10,15-16,18,23H,11-14,17H2,(H,31,36)(H,32,33)(H,29,30,34)
InChIKeyJDIRNAZNRMEUIW-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.41
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 20789092) has the molecular formula C28H27N7O and a molecular weight of 477.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID20789092
Molecular FormulaC28H27N7O
Molecular Weight477.57 g/mol
Exact Mass477.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C28H27N7O/c36-28(31-23-11-13-35(14-12-23)17-19-5-2-1-3-6-19)22-8-4-7-20(15-22)26-24-16-21(27-29-18-30-34-27)9-10-25(24)32-33-26/h1-10,15-16,18,23H,11-14,17H2,(H,31,36)(H,32,33)(H,29,30,34)
InChIKeyJDIRNAZNRMEUIW-UHFFFAOYSA-N
XLogP4.41
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 20789092) is N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is JDIRNAZNRMEUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O/c36-28(31-23-11-13-35(14-12-23)17-19-5-2-1-3-6-19)22-8-4-7-20(15-22)26-24-16-21(27-29-18-30-34-27)9-10-25(24)32-33-26/h1-10,15-16,18,23H,11-14,17H2,(H,31,36)(H,32,33)(H,29,30,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 477.57 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 20789092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).