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

C20H26N4 — CID 58438465

IUPAC2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
SMILESCc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)c1
InChIInChI=1S/C20H26N4/c1-15-11-22-24(12-15)17-3-4-18-16(10-17)2-5-19(18)23-13-20(14-23)6-8-21-9-7-20/h3-4,10-12,19,21H,2,5-9,13-14H2,1H3/t19-/m1/s1
InChIKeyBUHWFHSOJSLODI-LJQANCHMSA-N
MW322.46 g/mol
LogP2.85
Rot. Bonds2

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

2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane (PubChem CID 58438465) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
PubChem CID58438465
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane
SMILESCc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)c1
InChIInChI=1S/C20H26N4/c1-15-11-22-24(12-15)17-3-4-18-16(10-17)2-5-19(18)23-13-20(14-23)6-8-21-9-7-20/h3-4,10-12,19,21H,2,5-9,13-14H2,1H3/t19-/m1/s1
InChIKeyBUHWFHSOJSLODI-LJQANCHMSA-N
XLogP2.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane (CID 58438465) is 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane is Cc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)c1.
What is the InChIKey of 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is BUHWFHSOJSLODI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N4/c1-15-11-22-24(12-15)17-3-4-18-16(10-17)2-5-19(18)23-13-20(14-23)6-8-21-9-7-20/h3-4,10-12,19,21H,2,5-9,13-14H2,1H3/t19-/m1/s1.
What are the key properties of 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane?
2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 322.46 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 58438465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).