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

C21H20N6O — CID 20789126

IUPACN-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C21H20N6O/c28-21(24-16-6-1-2-7-16)15-5-3-4-13(10-15)19-17-11-14(20-22-12-23-27-20)8-9-18(17)25-26-19/h3-5,8-12,16H,1-2,6-7H2,(H,24,28)(H,25,26)(H,22,23,27)
InChIKeyGLLWZOUOQKGMEZ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.69
Rot. Bonds4

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

N-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 20789126) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID20789126
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C21H20N6O/c28-21(24-16-6-1-2-7-16)15-5-3-4-13(10-15)19-17-11-14(20-22-12-23-27-20)8-9-18(17)25-26-19/h3-5,8-12,16H,1-2,6-7H2,(H,24,28)(H,25,26)(H,22,23,27)
InChIKeyGLLWZOUOQKGMEZ-UHFFFAOYSA-N
XLogP3.69
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 20789126) is N-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is O=C(NC1CCCC1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of N-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is GLLWZOUOQKGMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21(24-16-6-1-2-7-16)15-5-3-4-13(10-15)19-17-11-14(20-22-12-23-27-20)8-9-18(17)25-26-19/h3-5,8-12,16H,1-2,6-7H2,(H,24,28)(H,25,26)(H,22,23,27).
What are the key properties of N-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
N-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 20789126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).