1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea

C24H23N7O2 — CID 73055057

IUPAC1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc(-c2cc(N3CC4CCC(C3)O4)c3nccn3n2)cc1
InChIInChI=1S/C24H23N7O2/c32-24(28-18-7-9-25-10-8-18)27-17-3-1-16(2-4-17)21-13-22(23-26-11-12-31(23)29-21)30-14-19-5-6-20(15-30)33-19/h1-4,7-13,19-20H,5-6,14-15H2,(H2,25,27,28,32)
InChIKeyAMGONPXTTMZQRC-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.80
Rot. Bonds4

About 1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea

1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea (PubChem CID 73055057) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea
PubChem CID73055057
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea
SMILESO=C(Nc1ccncc1)Nc1ccc(-c2cc(N3CC4CCC(C3)O4)c3nccn3n2)cc1
InChIInChI=1S/C24H23N7O2/c32-24(28-18-7-9-25-10-8-18)27-17-3-1-16(2-4-17)21-13-22(23-26-11-12-31(23)29-21)30-14-19-5-6-20(15-30)33-19/h1-4,7-13,19-20H,5-6,14-15H2,(H2,25,27,28,32)
InChIKeyAMGONPXTTMZQRC-UHFFFAOYSA-N
XLogP3.80
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea (CID 73055057) is 1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea is O=C(Nc1ccncc1)Nc1ccc(-c2cc(N3CC4CCC(C3)O4)c3nccn3n2)cc1.
What is the InChIKey of 1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea?
The InChIKey is AMGONPXTTMZQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c32-24(28-18-7-9-25-10-8-18)27-17-3-1-16(2-4-17)21-13-22(23-26-11-12-31(23)29-21)30-14-19-5-6-20(15-30)33-19/h1-4,7-13,19-20H,5-6,14-15H2,(H2,25,27,28,32).
What are the key properties of 1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea?
1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea has a molecular weight of 441.50 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 73055057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).