N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C24H18FN7O — CID 118538645

IUPACN-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCC4)ccc2n1)c1ccncc1
InChIInChI=1S/C24H18FN7O/c25-17-5-3-15(4-6-17)22-23(31-13-1-2-20(31)29-22)18-7-8-21-27-19(14-32(21)30-18)28-24(33)16-9-11-26-12-10-16/h3-12,14H,1-2,13H2,(H,28,33)
InChIKeyIBNXVGCXSIAWBN-UHFFFAOYSA-N
MW439.45 g/mol
LogP3.99
Rot. Bonds4

About N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538645) has the molecular formula C24H18FN7O and a molecular weight of 439.45 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
PubChem CID118538645
Molecular FormulaC24H18FN7O
Molecular Weight439.45 g/mol
Exact Mass439.16
IUPAC NameN-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCC4)ccc2n1)c1ccncc1
InChIInChI=1S/C24H18FN7O/c25-17-5-3-15(4-6-17)22-23(31-13-1-2-20(31)29-22)18-7-8-21-27-19(14-32(21)30-18)28-24(33)16-9-11-26-12-10-16/h3-12,14H,1-2,13H2,(H,28,33)
InChIKeyIBNXVGCXSIAWBN-UHFFFAOYSA-N
XLogP3.99
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-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)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538645) is N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCC4)ccc2n1)c1ccncc1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The InChIKey is IBNXVGCXSIAWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O/c25-17-5-3-15(4-6-17)22-23(31-13-1-2-20(31)29-22)18-7-8-21-27-19(14-32(21)30-18)28-24(33)16-9-11-26-12-10-16/h3-12,14H,1-2,13H2,(H,28,33).
What are the key properties of N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 439.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).