(2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide

C23H23FN4O3 — CID 42109873

IUPAC(2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C23H23FN4O3/c1-16(31-21-8-3-2-7-19(21)24)23(29)25-18-6-4-5-17(15-18)20-9-10-22(27-26-20)28-11-13-30-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,25,29)/t16-/m0/s1
InChIKeyBCQHNZZXNIHRQG-INIZCTEOSA-N
MW422.46 g/mol
LogP3.53
Rot. Bonds6

About (2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide

(2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide (PubChem CID 42109873) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
PubChem CID42109873
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
SMILESC[C@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C23H23FN4O3/c1-16(31-21-8-3-2-7-19(21)24)23(29)25-18-6-4-5-17(15-18)20-9-10-22(27-26-20)28-11-13-30-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,25,29)/t16-/m0/s1
InChIKeyBCQHNZZXNIHRQG-INIZCTEOSA-N
XLogP3.53
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 43991945
2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 43991938
2-(2-ethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43991905
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 43991919
1-(2-ethylphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991969
2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992084
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
2-ethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422477
2-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7422439
2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991672
1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43991972
1-(2-chlorophenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991973

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide (CID 42109873) is (2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide is C[C@H](Oc1ccccc1F)C(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is BCQHNZZXNIHRQG-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-16(31-21-8-3-2-7-19(21)24)23(29)25-18-6-4-5-17(15-18)20-9-10-22(27-26-20)28-11-13-30-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,25,29)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
(2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 422.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 42109873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).