N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C24H19FN8O — CID 118538978

IUPACN-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCNC4)ccc2n1)c1ccncc1
InChIInChI=1S/C24H19FN8O/c25-17-3-1-15(2-4-17)22-23(32-12-11-27-13-21(32)30-22)18-5-6-20-28-19(14-33(20)31-18)29-24(34)16-7-9-26-10-8-16/h1-10,14,27H,11-13H2,(H,29,34)
InChIKeyPHVWHSOFHYHAEX-UHFFFAOYSA-N
MW454.47 g/mol
LogP3.15
Rot. Bonds4

About N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538978) has the molecular formula C24H19FN8O and a molecular weight of 454.47 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
PubChem CID118538978
Molecular FormulaC24H19FN8O
Molecular Weight454.47 g/mol
Exact Mass454.17
IUPAC NameN-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCNC4)ccc2n1)c1ccncc1
InChIInChI=1S/C24H19FN8O/c25-17-3-1-15(2-4-17)22-23(32-12-11-27-13-21(32)30-22)18-5-6-20-28-19(14-33(20)31-18)29-24(34)16-7-9-26-10-8-16/h1-10,14,27H,11-13H2,(H,29,34)
InChIKeyPHVWHSOFHYHAEX-UHFFFAOYSA-N
XLogP3.15
TPSA102.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538978) is N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCNC4)ccc2n1)c1ccncc1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The InChIKey is PHVWHSOFHYHAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8O/c25-17-3-1-15(2-4-17)22-23(32-12-11-27-13-21(32)30-22)18-5-6-20-28-19(14-33(20)31-18)29-24(34)16-7-9-26-10-8-16/h1-10,14,27H,11-13H2,(H,29,34).
What are the key properties of N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 454.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).