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

C26H33N5O3 — CID 58438474

IUPAC2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)COC(=O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-c4cnc(C(N)=O)cn4)ccc31)C2
InChIInChI=1S/C26H33N5O3/c1-17(2)14-34-25(33)30-9-7-26(8-10-30)15-31(16-26)23-6-4-18-11-19(3-5-20(18)23)21-12-29-22(13-28-21)24(27)32/h3,5,11-13,17,23H,4,6-10,14-16H2,1-2H3,(H2,27,32)/t23-/m1/s1
InChIKeyHZROFNYCOAXQJL-HSZRJFAPSA-N
MW463.58 g/mol
LogP3.42
Rot. Bonds5

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

2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 58438474) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID58438474
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)COC(=O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-c4cnc(C(N)=O)cn4)ccc31)C2
InChIInChI=1S/C26H33N5O3/c1-17(2)14-34-25(33)30-9-7-26(8-10-30)15-31(16-26)23-6-4-18-11-19(3-5-20(18)23)21-12-29-22(13-28-21)24(27)32/h3,5,11-13,17,23H,4,6-10,14-16H2,1-2H3,(H2,27,32)/t23-/m1/s1
InChIKeyHZROFNYCOAXQJL-HSZRJFAPSA-N
XLogP3.42
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of 2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 58438474) is 2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for 2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is CC(C)COC(=O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-c4cnc(C(N)=O)cn4)ccc31)C2.
What is the InChIKey of 2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is HZROFNYCOAXQJL-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-17(2)14-34-25(33)30-9-7-26(8-10-30)15-31(16-26)23-6-4-18-11-19(3-5-20(18)23)21-12-29-22(13-28-21)24(27)32/h3,5,11-13,17,23H,4,6-10,14-16H2,1-2H3,(H2,27,32)/t23-/m1/s1.
What are the key properties of 2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 463.58 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(1R)-5-(5-carbamoylpyrazin-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 58438474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).