benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

C26H29N5O2 — CID 58438480

IUPACbenzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CC1)CN([C@@H]1CCc3cc(-n4nccn4)ccc31)C2
InChIInChI=1S/C26H29N5O2/c32-25(33-17-20-4-2-1-3-5-20)29-14-10-26(11-15-29)18-30(19-26)24-9-6-21-16-22(7-8-23(21)24)31-27-12-13-28-31/h1-5,7-8,12-13,16,24H,6,9-11,14-15,17-19H2/t24-/m1/s1
InChIKeyZXTJDHGNKNYRBV-XMMPIXPASA-N
MW443.55 g/mol
LogP3.99
Rot. Bonds4

About benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 58438480) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID58438480
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Namebenzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CC1)CN([C@@H]1CCc3cc(-n4nccn4)ccc31)C2
InChIInChI=1S/C26H29N5O2/c32-25(33-17-20-4-2-1-3-5-20)29-14-10-26(11-15-29)18-30(19-26)24-9-6-21-16-22(7-8-23(21)24)31-27-12-13-28-31/h1-5,7-8,12-13,16,24H,6,9-11,14-15,17-19H2/t24-/m1/s1
InChIKeyZXTJDHGNKNYRBV-XMMPIXPASA-N
XLogP3.99
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 58438480) is benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is O=C(OCc1ccccc1)N1CCC2(CC1)CN([C@@H]1CCc3cc(-n4nccn4)ccc31)C2.
What is the InChIKey of benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is ZXTJDHGNKNYRBV-XMMPIXPASA-N. The full InChI is InChI=1S/C26H29N5O2/c32-25(33-17-20-4-2-1-3-5-20)29-14-10-26(11-15-29)18-30(19-26)24-9-6-21-16-22(7-8-23(21)24)31-27-12-13-28-31/h1-5,7-8,12-13,16,24H,6,9-11,14-15,17-19H2/t24-/m1/s1.
What are the key properties of benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 443.55 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 58438480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).