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

C21H27Cl2N5O — CID 86657726

IUPAC5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cnc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)cn1
InChIInChI=1S/C21H25N5O.2ClH/c22-20(27)18-11-24-17(10-25-18)15-1-3-16-14(9-15)2-4-19(16)26-12-21(13-26)5-7-23-8-6-21;;/h1,3,9-11,19,23H,2,4-8,12-13H2,(H2,22,27);2*1H/t19-;;/m1../s1
InChIKeyNJYUNEOERKQHIO-JQDLGSOUSA-N
MW436.39 g/mol
LogP2.76
Rot. Bonds3

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

5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxamide;dihydrochloride (PubChem CID 86657726) has the molecular formula C21H27Cl2N5O and a molecular weight of 436.39 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-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxamide;dihydrochloride
PubChem CID86657726
Molecular FormulaC21H27Cl2N5O
Molecular Weight436.39 g/mol
Exact Mass435.16
IUPAC Name5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cnc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)cn1
InChIInChI=1S/C21H25N5O.2ClH/c22-20(27)18-11-24-17(10-25-18)15-1-3-16-14(9-15)2-4-19(16)26-12-21(13-26)5-7-23-8-6-21;;/h1,3,9-11,19,23H,2,4-8,12-13H2,(H2,22,27);2*1H/t19-;;/m1../s1
InChIKeyNJYUNEOERKQHIO-JQDLGSOUSA-N
XLogP2.76
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 52.76
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-carboxamide;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-carboxamide;dihydrochloride (CID 86657726) is 5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxamide;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-carboxamide;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-carboxamide;dihydrochloride is Cl.Cl.NC(=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-carboxamide;dihydrochloride?
The InChIKey is NJYUNEOERKQHIO-JQDLGSOUSA-N. The full InChI is InChI=1S/C21H25N5O.2ClH/c22-20(27)18-11-24-17(10-25-18)15-1-3-16-14(9-15)2-4-19(16)26-12-21(13-26)5-7-23-8-6-21;;/h1,3,9-11,19,23H,2,4-8,12-13H2,(H2,22,27);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-carboxamide;dihydrochloride?
5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxamide;dihydrochloride has a molecular weight of 436.39 g/mol, XLogP of 2.76, 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-carboxamide;dihydrochloride is sourced from PubChem (CID 86657726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).