5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine

C26H20FN9 — CID 86300958

IUPAC5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(-c3ccc4nc5c(n4c3)CCNC5)cc2)nc1-c1cnc2cccnn12
InChIInChI=1S/C26H20FN9/c27-19-12-30-26(34-25(19)22-14-29-23-2-1-10-31-36(22)23)32-18-6-3-16(4-7-18)17-5-8-24-33-20-13-28-11-9-21(20)35(24)15-17/h1-8,10,12,14-15,28H,9,11,13H2,(H,30,32,34)
InChIKeyDNGIAVYGOMCGNG-UHFFFAOYSA-N
MW477.51 g/mol
LogP4.03
Rot. Bonds4

About 5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine

5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine (PubChem CID 86300958) has the molecular formula C26H20FN9 and a molecular weight of 477.51 g/mol. Its IUPAC name is 5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine
PubChem CID86300958
Molecular FormulaC26H20FN9
Molecular Weight477.51 g/mol
Exact Mass477.18
IUPAC Name5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(-c3ccc4nc5c(n4c3)CCNC5)cc2)nc1-c1cnc2cccnn12
InChIInChI=1S/C26H20FN9/c27-19-12-30-26(34-25(19)22-14-29-23-2-1-10-31-36(22)23)32-18-6-3-16(4-7-18)17-5-8-24-33-20-13-28-11-9-21(20)35(24)15-17/h1-8,10,12,14-15,28H,9,11,13H2,(H,30,32,34)
InChIKeyDNGIAVYGOMCGNG-UHFFFAOYSA-N
XLogP4.03
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine (CID 86300958) is 5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine is Fc1cnc(Nc2ccc(-c3ccc4nc5c(n4c3)CCNC5)cc2)nc1-c1cnc2cccnn12.
What is the InChIKey of 5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine?
The InChIKey is DNGIAVYGOMCGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN9/c27-19-12-30-26(34-25(19)22-14-29-23-2-1-10-31-36(22)23)32-18-6-3-16(4-7-18)17-5-8-24-33-20-13-28-11-9-21(20)35(24)15-17/h1-8,10,12,14-15,28H,9,11,13H2,(H,30,32,34).
What are the key properties of 5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine?
5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine has a molecular weight of 477.51 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-imidazo[1,2-b]pyridazin-3-yl-N-[4-(1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 86300958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).