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

C20H28Cl2N4 — CID 67405318

IUPAC2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride
SMILESCc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)c1.Cl.Cl
InChIInChI=1S/C20H26N4.2ClH/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;2*1H/t19-;;/m1../s1
InChIKeyQDAGBRIYGPFEGB-JQDLGSOUSA-N
MW395.38 g/mol
LogP3.70
Rot. Bonds2

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

2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride (PubChem CID 67405318) has the molecular formula C20H28Cl2N4 and a molecular weight of 395.38 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;dihydrochloride.

Molecular Properties

Compound Name2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride
PubChem CID67405318
Molecular FormulaC20H28Cl2N4
Molecular Weight395.38 g/mol
Exact Mass394.17
IUPAC Name2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride
SMILESCc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)c1.Cl.Cl
InChIInChI=1S/C20H26N4.2ClH/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;2*1H/t19-;;/m1../s1
InChIKeyQDAGBRIYGPFEGB-JQDLGSOUSA-N
XLogP3.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.70
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;dihydrochloride?
The IUPAC name of 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride (CID 67405318) is 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride.
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;dihydrochloride?
The canonical SMILES for 2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride is Cc1cnn(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)c1.Cl.Cl.
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;dihydrochloride?
The InChIKey is QDAGBRIYGPFEGB-JQDLGSOUSA-N. The full InChI is InChI=1S/C20H26N4.2ClH/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;2*1H/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;dihydrochloride?
2-[(1R)-5-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane;dihydrochloride has a molecular weight of 395.38 g/mol, XLogP of 3.70, 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;dihydrochloride is sourced from PubChem (CID 67405318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).