(3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C18H22FN5 — CID 110138903

IUPAC(3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3ncccc3F)C[C@@H]21
InChIInChI=1S/C18H22FN5/c1-23(18-9-20-7-8-22-18)17-5-4-13-10-24(11-14(13)17)12-16-15(19)3-2-6-21-16/h2-3,6-9,13-14,17H,4-5,10-12H2,1H3/t13-,14+,17-/m1/s1
InChIKeyILFSVDFPEMDTGO-JKIFEVAISA-N
MW327.41 g/mol
LogP2.36
Rot. Bonds4

About (3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

(3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 110138903) has the molecular formula C18H22FN5 and a molecular weight of 327.41 g/mol. Its IUPAC name is (3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name(3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID110138903
Molecular FormulaC18H22FN5
Molecular Weight327.41 g/mol
Exact Mass327.19
IUPAC Name(3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3ncccc3F)C[C@@H]21
InChIInChI=1S/C18H22FN5/c1-23(18-9-20-7-8-22-18)17-5-4-13-10-24(11-14(13)17)12-16-15(19)3-2-6-21-16/h2-3,6-9,13-14,17H,4-5,10-12H2,1H3/t13-,14+,17-/m1/s1
InChIKeyILFSVDFPEMDTGO-JKIFEVAISA-N
XLogP2.36
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine with MolForge

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Related Compounds

2-[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-morpholin-4-ylethanone
CID 110138915
(3aR,4R,6aS)-N,N-diethyl-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-sulfonamide
CID 110138938
(3aR,4R,6aS)-N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl]-N-(6-methylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 110139168
[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyrimidin-4-ylmethanone
CID 110138887
[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 110139014
1-[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 110138974
[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-ethylpyrazol-4-yl)methanone
CID 110138969
[(3aR,4R,6aS)-4-[methyl(pyrazin-2-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110138881
3-[(3-fluoro-2-pyridinyl)methyl]-6-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 172893694
(3aR,4R,6aS)-N-methyl-N-pyridazin-3-yl-2-pyrimidin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 110139117
1-[(3aR,4R,6aS)-4-[methyl(pyridazin-3-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2-fluorophenyl)ethanone
CID 110139114
(3R,4S)-4-cyclopropyl-N,N-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 72885634

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of (3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 110138903) is (3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for (3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for (3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3ncccc3F)C[C@@H]21.
What is the InChIKey of (3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is ILFSVDFPEMDTGO-JKIFEVAISA-N. The full InChI is InChI=1S/C18H22FN5/c1-23(18-9-20-7-8-22-18)17-5-4-13-10-24(11-14(13)17)12-16-15(19)3-2-6-21-16/h2-3,6-9,13-14,17H,4-5,10-12H2,1H3/t13-,14+,17-/m1/s1.
What are the key properties of (3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
(3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 327.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aS)-2-[(3-fluoro-2-pyridinyl)methyl]-N-methyl-N-pyrazin-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 110138903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).