1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one

C18H25N5O2 — CID 110143461

IUPAC1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1C[C@@H]2CC[C@@H](Nc3cnccn3)[C@@H]2C1
InChIInChI=1S/C18H25N5O2/c24-17-2-1-8-22(17)9-5-18(25)23-11-13-3-4-15(14(13)12-23)21-16-10-19-6-7-20-16/h6-7,10,13-15H,1-5,8-9,11-12H2,(H,20,21)/t13-,14+,15+/m0/s1
InChIKeyRUODGWNOGQFXDN-RRFJBIMHSA-N
MW343.43 g/mol
LogP1.14
Rot. Bonds5

About 1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one

1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 110143461) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one
PubChem CID110143461
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1C[C@@H]2CC[C@@H](Nc3cnccn3)[C@@H]2C1
InChIInChI=1S/C18H25N5O2/c24-17-2-1-8-22(17)9-5-18(25)23-11-13-3-4-15(14(13)12-23)21-16-10-19-6-7-20-16/h6-7,10,13-15H,1-5,8-9,11-12H2,(H,20,21)/t13-,14+,15+/m0/s1
InChIKeyRUODGWNOGQFXDN-RRFJBIMHSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-thiophen-2-ylpropan-1-one
CID 110138983
1-[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 110138973
1-[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2-methoxyphenyl)ethanone
CID 110138939
1-[4-[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]piperidin-1-yl]ethanone
CID 155986841
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 136586585
[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 110138959
1-[3-oxo-3-[(1R,5S)-3-(pyrazine-2-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]propyl]pyrrolidin-2-one
CID 133114277
[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110143448
1-[5-methyl-2-[3-(2-oxopyrrolidin-1-yl)propoxy]cyclohex-3-en-1-yl]-3-pyrazin-2-ylurea
CID 59293476
1-[(3aR,5R,6R,7aS)-5-hydroxy-6-(pyrazin-2-ylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(3,4-dichlorophenyl)ethanone
CID 172656998
1-[2-[2-[(3R)-3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95834932
1-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]pyrrolidin-2-one
CID 74236287

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one (CID 110143461) is 1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one is O=C1CCCN1CCC(=O)N1C[C@@H]2CC[C@@H](Nc3cnccn3)[C@@H]2C1.
What is the InChIKey of 1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is RUODGWNOGQFXDN-RRFJBIMHSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-17-2-1-8-22(17)9-5-18(25)23-11-13-3-4-15(14(13)12-23)21-16-10-19-6-7-20-16/h6-7,10,13-15H,1-5,8-9,11-12H2,(H,20,21)/t13-,14+,15+/m0/s1.
What are the key properties of 1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one?
1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3aS,4R,6aR)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 110143461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).