5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride

C21H26Cl2N4O2 — CID 158811645

IUPAC5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cnc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)cn1
InChIInChI=1S/C21H24N4O2.2ClH/c26-20(27)18-11-23-17(10-24-18)15-1-3-16-14(9-15)2-4-19(16)25-12-21(13-25)5-7-22-8-6-21;;/h1,3,9-11,19,22H,2,4-8,12-13H2,(H,26,27);2*1H/t19-;;/m1../s1
InChIKeyRRIMEOYQXVAIAQ-JQDLGSOUSA-N
MW437.37 g/mol
LogP3.36
Rot. Bonds3

About 5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride

5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride (PubChem CID 158811645) has the molecular formula C21H26Cl2N4O2 and a molecular weight of 437.37 g/mol. Its IUPAC name is 5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride
PubChem CID158811645
Molecular FormulaC21H26Cl2N4O2
Molecular Weight437.37 g/mol
Exact Mass436.14
IUPAC Name5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cnc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)cn1
InChIInChI=1S/C21H24N4O2.2ClH/c26-20(27)18-11-23-17(10-24-18)15-1-3-16-14(9-15)2-4-19(16)25-12-21(13-25)5-7-22-8-6-21;;/h1,3,9-11,19,22H,2,4-8,12-13H2,(H,26,27);2*1H/t19-;;/m1../s1
InChIKeyRRIMEOYQXVAIAQ-JQDLGSOUSA-N
XLogP3.36
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride?
The IUPAC name of 5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride (CID 158811645) is 5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for 5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for 5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1cnc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)cn1.
What is the InChIKey of 5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride?
The InChIKey is RRIMEOYQXVAIAQ-JQDLGSOUSA-N. The full InChI is InChI=1S/C21H24N4O2.2ClH/c26-20(27)18-11-23-17(10-24-18)15-1-3-16-14(9-15)2-4-19(16)25-12-21(13-25)5-7-22-8-6-21;;/h1,3,9-11,19,22H,2,4-8,12-13H2,(H,26,27);2*1H/t19-;;/m1../s1.
What are the key properties of 5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride?
5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride has a molecular weight of 437.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 158811645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).