4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one

C25H25N5O2S — CID 58095309

IUPAC4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one
SMILESO=C(CCN1CCOCC1)Cc1cc(-c2nc(-c3ccccc3)c(C3=NN=CC3)s2)ccn1
InChIInChI=1S/C25H25N5O2S/c31-21(8-11-30-12-14-32-15-13-30)17-20-16-19(6-9-26-20)25-28-23(18-4-2-1-3-5-18)24(33-25)22-7-10-27-29-22/h1-6,9-10,16H,7-8,11-15,17H2
InChIKeyMJQOTCFYJBFGLP-UHFFFAOYSA-N
MW459.58 g/mol
LogP3.88
Rot. Bonds8

About 4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one

4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one (PubChem CID 58095309) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is 4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one
PubChem CID58095309
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one
SMILESO=C(CCN1CCOCC1)Cc1cc(-c2nc(-c3ccccc3)c(C3=NN=CC3)s2)ccn1
InChIInChI=1S/C25H25N5O2S/c31-21(8-11-30-12-14-32-15-13-30)17-20-16-19(6-9-26-20)25-28-23(18-4-2-1-3-5-18)24(33-25)22-7-10-27-29-22/h1-6,9-10,16H,7-8,11-15,17H2
InChIKeyMJQOTCFYJBFGLP-UHFFFAOYSA-N
XLogP3.88
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,4-diphenyl-1,3-thiazol-5-yl)-4-morpholin-4-ylbutan-1-one
CID 157416789
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
2-[2-methyl-3-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol
CID 58095053
1-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-5-phenyl-1,3-thiazol-4-yl]phenyl]cyclobutan-1-amine
CID 53495791
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
N-[5-(2-morpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155912188
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 30534634
4-(2-morpholin-4-ylethoxy)-2-phenylpyridine-3-carboxamide
CID 175950070
2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 20984124
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 36704275
4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine
CID 154445792
4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 57383478

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one?
The IUPAC name of 4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one (CID 58095309) is 4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one.
What is the SMILES notation for 4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one?
The canonical SMILES for 4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one is O=C(CCN1CCOCC1)Cc1cc(-c2nc(-c3ccccc3)c(C3=NN=CC3)s2)ccn1.
What is the InChIKey of 4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one?
The InChIKey is MJQOTCFYJBFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c31-21(8-11-30-12-14-32-15-13-30)17-20-16-19(6-9-26-20)25-28-23(18-4-2-1-3-5-18)24(33-25)22-7-10-27-29-22/h1-6,9-10,16H,7-8,11-15,17H2.
What are the key properties of 4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one?
4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one has a molecular weight of 459.58 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1-[4-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]-2-pyridinyl]butan-2-one is sourced from PubChem (CID 58095309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).