4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide

C28H35N5O3 — CID 66598613

IUPAC4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(OC4CCCCC4)nn23)cc1
InChIInChI=1S/C28H35N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,34)
InChIKeyRBAVSBFLKYEEFX-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.84
Rot. Bonds8

About 4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide

4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 66598613) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide
PubChem CID66598613
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC Name4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(OC4CCCCC4)nn23)cc1
InChIInChI=1S/C28H35N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,34)
InChIKeyRBAVSBFLKYEEFX-UHFFFAOYSA-N
XLogP4.84
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide (CID 66598613) is 4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCOCC4)cc(OC4CCCCC4)nn23)cc1.
What is the InChIKey of 4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide?
The InChIKey is RBAVSBFLKYEEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,34).
What are the key properties of 4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide?
4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide has a molecular weight of 489.62 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 66598613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).