3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide

C24H21ClFN5O3 — CID 155074315

IUPAC3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide
SMILESCC(=O)Nc1cn2nc(-c3cc(F)cc(C(=O)NCC[C@@H](O)c4ccc(Cl)cc4)c3)ccc2n1
InChIInChI=1S/C24H21ClFN5O3/c1-14(32)28-22-13-31-23(29-22)7-6-20(30-31)16-10-17(12-19(26)11-16)24(34)27-9-8-21(33)15-2-4-18(25)5-3-15/h2-7,10-13,21,33H,8-9H2,1H3,(H,27,34)(H,28,32)/t21-/m1/s1
InChIKeyFLSNKMLDVVIQSR-OAQYLSRUSA-N
MW481.92 g/mol
LogP4.00
Rot. Bonds7

About 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide

3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide (PubChem CID 155074315) has the molecular formula C24H21ClFN5O3 and a molecular weight of 481.92 g/mol. Its IUPAC name is 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide
PubChem CID155074315
Molecular FormulaC24H21ClFN5O3
Molecular Weight481.92 g/mol
Exact Mass481.13
IUPAC Name3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide
SMILESCC(=O)Nc1cn2nc(-c3cc(F)cc(C(=O)NCC[C@@H](O)c4ccc(Cl)cc4)c3)ccc2n1
InChIInChI=1S/C24H21ClFN5O3/c1-14(32)28-22-13-31-23(29-22)7-6-20(30-31)16-10-17(12-19(26)11-16)24(34)27-9-8-21(33)15-2-4-18(25)5-3-15/h2-7,10-13,21,33H,8-9H2,1H3,(H,27,34)(H,28,32)/t21-/m1/s1
InChIKeyFLSNKMLDVVIQSR-OAQYLSRUSA-N
XLogP4.00
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.92
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide?
The IUPAC name of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide (CID 155074315) is 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide.
What is the SMILES notation for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide?
The canonical SMILES for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide is CC(=O)Nc1cn2nc(-c3cc(F)cc(C(=O)NCC[C@@H](O)c4ccc(Cl)cc4)c3)ccc2n1.
What is the InChIKey of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide?
The InChIKey is FLSNKMLDVVIQSR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21ClFN5O3/c1-14(32)28-22-13-31-23(29-22)7-6-20(30-31)16-10-17(12-19(26)11-16)24(34)27-9-8-21(33)15-2-4-18(25)5-3-15/h2-7,10-13,21,33H,8-9H2,1H3,(H,27,34)(H,28,32)/t21-/m1/s1.
What are the key properties of 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide?
3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide has a molecular weight of 481.92 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-fluorobenzamide is sourced from PubChem (CID 155074315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).