6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene

C26H27FN8 — CID 164860980

IUPAC6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene
SMILESFc1ccccc1.[H]/N=C(\c1ncc(N2CCC3C(CN)C3C2)nc1N)c1ccnc2cnccc12
InChIInChI=1S/C20H22N8.C6H5F/c21-7-14-11-3-6-28(10-15(11)14)17-9-26-19(20(23)27-17)18(22)13-2-5-25-16-8-24-4-1-12(13)16;7-6-4-2-1-3-5-6/h1-2,4-5,8-9,11,14-15,22H,3,6-7,10,21H2,(H2,23,27);1-5H/b22-18-;
InChIKeyZIRCWJDUVPHQEY-QNCGTCMPSA-N
MW470.56 g/mol
LogP3.27
Rot. Bonds4

About 6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene

6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene (PubChem CID 164860980) has the molecular formula C26H27FN8 and a molecular weight of 470.56 g/mol. Its IUPAC name is 6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene.

Molecular Properties

Compound Name6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene
PubChem CID164860980
Molecular FormulaC26H27FN8
Molecular Weight470.56 g/mol
Exact Mass470.23
IUPAC Name6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene
SMILESFc1ccccc1.[H]/N=C(\c1ncc(N2CCC3C(CN)C3C2)nc1N)c1ccnc2cnccc12
InChIInChI=1S/C20H22N8.C6H5F/c21-7-14-11-3-6-28(10-15(11)14)17-9-26-19(20(23)27-17)18(22)13-2-5-25-16-8-24-4-1-12(13)16;7-6-4-2-1-3-5-6/h1-2,4-5,8-9,11,14-15,22H,3,6-7,10,21H2,(H2,23,27);1-5H/b22-18-;
InChIKeyZIRCWJDUVPHQEY-QNCGTCMPSA-N
XLogP3.27
TPSA130.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene?
The IUPAC name of 6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene (CID 164860980) is 6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene.
What is the SMILES notation for 6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene?
The canonical SMILES for 6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene is Fc1ccccc1.[H]/N=C(\c1ncc(N2CCC3C(CN)C3C2)nc1N)c1ccnc2cnccc12.
What is the InChIKey of 6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene?
The InChIKey is ZIRCWJDUVPHQEY-QNCGTCMPSA-N. The full InChI is InChI=1S/C20H22N8.C6H5F/c21-7-14-11-3-6-28(10-15(11)14)17-9-26-19(20(23)27-17)18(22)13-2-5-25-16-8-24-4-1-12(13)16;7-6-4-2-1-3-5-6/h1-2,4-5,8-9,11,14-15,22H,3,6-7,10,21H2,(H2,23,27);1-5H/b22-18-;.
What are the key properties of 6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene?
6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene has a molecular weight of 470.56 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(aminomethyl)-3-azabicyclo[4.1.0]heptan-3-yl]-3-(1,7-naphthyridine-4-carboximidoyl)pyrazin-2-amine;fluorobenzene is sourced from PubChem (CID 164860980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).