(3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine

C15H22N4 — CID 97402510

IUPAC(3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
SMILESc1cnc(N2C[C@H]3CCN(CC4CC4)C[C@H]3C2)cn1
InChIInChI=1S/C15H22N4/c1-2-12(1)8-18-6-3-13-10-19(11-14(13)9-18)15-7-16-4-5-17-15/h4-5,7,12-14H,1-3,6,8-11H2/t13-,14+/m1/s1
InChIKeyBOFOVJQGUDYLBT-KGLIPLIRSA-N
MW258.37 g/mol
LogP1.64
Rot. Bonds3

About (3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine

(3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine (PubChem CID 97402510) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is (3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name(3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
PubChem CID97402510
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name(3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
SMILESc1cnc(N2C[C@H]3CCN(CC4CC4)C[C@H]3C2)cn1
InChIInChI=1S/C15H22N4/c1-2-12(1)8-18-6-3-13-10-19(11-14(13)9-18)15-7-16-4-5-17-15/h4-5,7,12-14H,1-3,6,8-11H2/t13-,14+/m1/s1
InChIKeyBOFOVJQGUDYLBT-KGLIPLIRSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine with MolForge

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Related Compounds

7-(Cyclohexylmethyl)-2-(2-pyrazinyl)-2,7-diazaspiro[4.5]decane
CID 70745389
(3aS,7aS)-2-pyrazin-2-yl-5-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 95042911
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]propan-1-one
CID 97402611
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]butan-1-one
CID 97508725
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-cyclopropylethanone
CID 97508726
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one
CID 97508727
2-(4-Methylpiperidin-1-yl)pyrazine
CID 57856373
1-Pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 84586030
(3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 127022096
9-(Cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 131645863
2-(3-Fluoro-5-propan-2-ylpiperidin-1-yl)pyrazine
CID 167364064
2-Fluoro-3-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 176552975

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of (3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine (CID 97402510) is (3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for (3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for (3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine is c1cnc(N2C[C@H]3CCN(CC4CC4)C[C@H]3C2)cn1.
What is the InChIKey of (3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is BOFOVJQGUDYLBT-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-12(1)8-18-6-3-13-10-19(11-14(13)9-18)15-7-16-4-5-17-15/h4-5,7,12-14H,1-3,6,8-11H2/t13-,14+/m1/s1.
What are the key properties of (3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine?
(3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 258.37 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 97402510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).