2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

C26H36N4O2 — CID 58438450

IUPAC2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)COCC(C)C)CC3)C2)c1
InChIInChI=1S/C26H36N4O2/c1-19(2)15-32-16-25(31)28-10-8-26(9-11-28)17-29(18-26)24-7-4-21-12-22(5-6-23(21)24)30-14-20(3)13-27-30/h5-6,12-14,19,24H,4,7-11,15-18H2,1-3H3/t24-/m1/s1
InChIKeyRYWFIXPBWATALQ-XMMPIXPASA-N
MW436.60 g/mol
LogP3.77
Rot. Bonds6

About 2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 58438450) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
PubChem CID58438450
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)COCC(C)C)CC3)C2)c1
InChIInChI=1S/C26H36N4O2/c1-19(2)15-32-16-25(31)28-10-8-26(9-11-28)17-29(18-26)24-7-4-21-12-22(5-6-23(21)24)30-14-20(3)13-27-30/h5-6,12-14,19,24H,4,7-11,15-18H2,1-3H3/t24-/m1/s1
InChIKeyRYWFIXPBWATALQ-XMMPIXPASA-N
XLogP3.77
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone 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 2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 58438450) is 2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is Cc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCN(C(=O)COCC(C)C)CC3)C2)c1.
What is the InChIKey of 2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is RYWFIXPBWATALQ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H36N4O2/c1-19(2)15-32-16-25(31)28-10-8-26(9-11-28)17-29(18-26)24-7-4-21-12-22(5-6-23(21)24)30-14-20(3)13-27-30/h5-6,12-14,19,24H,4,7-11,15-18H2,1-3H3/t24-/m1/s1.
What are the key properties of 2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 436.60 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-1-[2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 58438450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).