N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide

C30H25FN8O — CID 118538702

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C30H25FN8O/c31-22-6-4-20(5-7-22)28-29(38-16-2-1-3-26(38)35-28)24-8-9-27-33-25(19-39(27)36-24)34-30(40)21-12-17-37(18-13-21)23-10-14-32-15-11-23/h1-11,14-16,19,21H,12-13,17-18H2,(H,34,40)
InChIKeyRIEIJLJEBGIMKO-UHFFFAOYSA-N
MW532.58 g/mol
LogP5.10
Rot. Bonds5

About N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 118538702) has the molecular formula C30H25FN8O and a molecular weight of 532.58 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID118538702
Molecular FormulaC30H25FN8O
Molecular Weight532.58 g/mol
Exact Mass532.21
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C30H25FN8O/c31-22-6-4-20(5-7-22)28-29(38-16-2-1-3-26(38)35-28)24-8-9-27-33-25(19-39(27)36-24)34-30(40)21-12-17-37(18-13-21)23-10-14-32-15-11-23/h1-11,14-16,19,21H,12-13,17-18H2,(H,34,40)
InChIKeyRIEIJLJEBGIMKO-UHFFFAOYSA-N
XLogP5.10
TPSA92.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.58
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 118538702) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is RIEIJLJEBGIMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN8O/c31-22-6-4-20(5-7-22)28-29(38-16-2-1-3-26(38)35-28)24-8-9-27-33-25(19-39(27)36-24)34-30(40)21-12-17-37(18-13-21)23-10-14-32-15-11-23/h1-11,14-16,19,21H,12-13,17-18H2,(H,34,40).
What are the key properties of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 532.58 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 118538702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).