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

C21H25N5O — CID 58438458

IUPAC5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)cn1
InChIInChI=1S/C21H25N5O/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)/t19-/m1/s1
InChIKeyCPMQRKOJDWJVCE-LJQANCHMSA-N
MW363.47 g/mol
LogP1.92
Rot. Bonds3

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

5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxamide (PubChem CID 58438458) has the molecular formula C21H25N5O and a molecular weight of 363.47 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.

Molecular Properties

Compound Name5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxamide
PubChem CID58438458
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(-c2ccc3c(c2)CC[C@H]3N2CC3(CCNCC3)C2)cn1
InChIInChI=1S/C21H25N5O/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)/t19-/m1/s1
InChIKeyCPMQRKOJDWJVCE-LJQANCHMSA-N
XLogP1.92
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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[(1R,5S)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(2-pyrazinyl)methanone
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N-(2-{[(3,4-Dimethylphenyl)methyl]carbamoyl}cyclopentyl)-5-methylpyrazine-2-carboxamide
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N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-methyl-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 51962864
3-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)pyrazine-2,3-dicarboxamide
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N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazine-2-carboxamide
CID 92440197
N-(2-aminoethyl)-3-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 67231224
N-[(1R)-1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide
CID 170330734
N-[1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide
CID 170330739
N-[(1R)-1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide
CID 170330743
N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,1-dimethyl-5-oxopiperazine-2-carboxamide
CID 170330759

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?
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 (CID 58438458) is 5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxamide.
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?
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 is 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?
The InChIKey is CPMQRKOJDWJVCE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N5O/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)/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?
5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 1.92, 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 is sourced from PubChem (CID 58438458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).