4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid

C19H20N4O3 — CID 24996719

IUPAC4-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESC1CC(CCC1NC2=NN3C(=NC=C3C4=CC=C(C=C4)C(=O)O)C=C2)O
InChIInChI=1S/C19H20N4O3/c24-15-7-5-14(6-8-15)21-17-9-10-18-20-11-16(23(18)22-17)12-1-3-13(4-2-12)19(25)26/h1-4,9-11,14-15,24H,5-8H2,(H,21,22)(H,25,26)
InChIKeyFPOGRJRXTQQVHF-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.50
Rot. Bonds4

About 4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid

4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid (PubChem CID 24996719) has the molecular formula C19H20N4O3 and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
PubChem CID24996719
Molecular FormulaC19H20N4O3
Molecular Weight352.40 g/mol
Exact Mass352.15
IUPAC Name4-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
SMILESC1CC(CCC1NC2=NN3C(=NC=C3C4=CC=C(C=C4)C(=O)O)C=C2)O
InChIInChI=1S/C19H20N4O3/c24-15-7-5-14(6-8-15)21-17-9-10-18-20-11-16(23(18)22-17)12-1-3-13(4-2-12)19(25)26/h1-4,9-11,14-15,24H,5-8H2,(H,21,22)(H,25,26)
InChIKeyFPOGRJRXTQQVHF-UHFFFAOYSA-N
XLogP2.50
TPSA99.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity489

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The IUPAC name of 4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid (CID 24996719) is 4-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid.
What is the SMILES notation for 4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The canonical SMILES for 4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid is C1CC(CCC1NC2=NN3C(=NC=C3C4=CC=C(C=C4)C(=O)O)C=C2)O.
What is the InChIKey of 4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
The InChIKey is FPOGRJRXTQQVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-15-7-5-14(6-8-15)21-17-9-10-18-20-11-16(23(18)22-17)12-1-3-13(4-2-12)19(25)26/h1-4,9-11,14-15,24H,5-8H2,(H,21,22)(H,25,26).
What are the key properties of 4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid?
4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid has a molecular weight of 352.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid is sourced from PubChem (CID 24996719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).