N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine

C21H20FN7 — CID 137401011

IUPACN-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine
SMILESC=C(Nc1cnccn1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC1CC2
InChIInChI=1S/C21H20FN7/c1-14(26-20-13-23-6-7-25-20)29-17-4-8-28(9-5-17)19-3-2-18(27-21(19)29)15-10-16(22)12-24-11-15/h2-3,6-7,10-13,17H,1,4-5,8-9H2,(H,25,26)
InChIKeyOMILCNBSKRIUKD-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.44
Rot. Bonds4

About N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine

N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine (PubChem CID 137401011) has the molecular formula C21H20FN7 and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine
PubChem CID137401011
Molecular FormulaC21H20FN7
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC NameN-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine
SMILESC=C(Nc1cnccn1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC1CC2
InChIInChI=1S/C21H20FN7/c1-14(26-20-13-23-6-7-25-20)29-17-4-8-28(9-5-17)19-3-2-18(27-21(19)29)15-10-16(22)12-24-11-15/h2-3,6-7,10-13,17H,1,4-5,8-9H2,(H,25,26)
InChIKeyOMILCNBSKRIUKD-UHFFFAOYSA-N
XLogP3.44
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine with MolForge

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Related Compounds

N-[1-[5-(3-methylphenyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine
CID 137399812
5-(5-chloro-3-pyridinyl)-N-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide
CID 118969363
(9R)-5-[2-(methylamino)-4-pyridinyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 163685224
2-(5-fluoro-3-pyridinyl)-5-methyl-N-pyrazin-2-yl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine-10-carboxamide
CID 137400605
(9S)-5-(3-chlorophenyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118969040
5-(6-cyano-3-pyridinyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 145083478
tert-butyl 5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxylate;5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene
CID 159661165
(9S)-5-(6-ethyl-3-pyridinyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118107090
N-pyrazin-2-yl-5-(1H-pyrazol-5-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 140675848
(9S)-5-[3-(3,3-difluoropyrrolidin-1-yl)phenyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118969137
(9S)-5-[3-(methanesulfonamido)phenyl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 118969259
N-[1-[(9S)-5-[3-(aminomethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-yl]ethenyl]pyrimidin-4-amine
CID 137400679

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine?
The IUPAC name of N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine (CID 137401011) is N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine.
What is the SMILES notation for N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine?
The canonical SMILES for N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine is C=C(Nc1cnccn1)N1c2nc(-c3cncc(F)c3)ccc2N2CCC1CC2.
What is the InChIKey of N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine?
The InChIKey is OMILCNBSKRIUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7/c1-14(26-20-13-23-6-7-25-20)29-17-4-8-28(9-5-17)19-3-2-18(27-21(19)29)15-10-16(22)12-24-11-15/h2-3,6-7,10-13,17H,1,4-5,8-9H2,(H,25,26).
What are the key properties of N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine?
N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine has a molecular weight of 389.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(5-fluoro-3-pyridinyl)-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-trien-8-yl]ethenyl]pyrazin-2-amine is sourced from PubChem (CID 137401011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).