5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide

C24H25FN6O2 — CID 75118128

IUPAC5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C24H25FN6O2/c25-18-6-4-16(5-7-18)21-15-22(29-28-21)24(32)26-19-3-1-2-17(14-19)20-8-9-23(30-27-20)31-10-12-33-13-11-31/h1-9,14,21-22,28-29H,10-13,15H2,(H,26,32)
InChIKeyUHOUNTNELYWTLC-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.67
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide

5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide (PubChem CID 75118128) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide
PubChem CID75118128
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C24H25FN6O2/c25-18-6-4-16(5-7-18)21-15-22(29-28-21)24(32)26-19-3-1-2-17(14-19)20-8-9-23(30-27-20)31-10-12-33-13-11-31/h1-9,14,21-22,28-29H,10-13,15H2,(H,26,32)
InChIKeyUHOUNTNELYWTLC-UHFFFAOYSA-N
XLogP2.67
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7422439
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
(2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 42109873
4-fluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593222
4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422461
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 41077695
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
3,4-dichloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 41077699
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
1-(2-ethylphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991969
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide
CID 7422468

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide (CID 75118128) is 5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide is O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)C1CC(c2ccc(F)cc2)NN1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide?
The InChIKey is UHOUNTNELYWTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c25-18-6-4-16(5-7-18)21-15-22(29-28-21)24(32)26-19-3-1-2-17(14-19)20-8-9-23(30-27-20)31-10-12-33-13-11-31/h1-9,14,21-22,28-29H,10-13,15H2,(H,26,32).
What are the key properties of 5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide?
5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75118128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).