1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one

C26H25N7O2S — CID 157094836

IUPAC1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one
SMILESO=C(Cc1ccccn1)Cc1ccc([C@@H]2CCN(c3nnc(C(=O)CCc4ccccn4)s3)C2)nn1
InChIInChI=1S/C26H25N7O2S/c34-22(15-20-6-2-4-13-28-20)16-21-7-9-23(30-29-21)18-11-14-33(17-18)26-32-31-25(36-26)24(35)10-8-19-5-1-3-12-27-19/h1-7,9,12-13,18H,8,10-11,14-17H2/t18-/m1/s1
InChIKeyPWODVLQROGHBBQ-GOSISDBHSA-N
MW499.60 g/mol
LogP3.28
Rot. Bonds10

About 1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one

1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 157094836) has the molecular formula C26H25N7O2S and a molecular weight of 499.60 g/mol. Its IUPAC name is 1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID157094836
Molecular FormulaC26H25N7O2S
Molecular Weight499.60 g/mol
Exact Mass499.18
IUPAC Name1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one
SMILESO=C(Cc1ccccn1)Cc1ccc([C@@H]2CCN(c3nnc(C(=O)CCc4ccccn4)s3)C2)nn1
InChIInChI=1S/C26H25N7O2S/c34-22(15-20-6-2-4-13-28-20)16-21-7-9-23(30-29-21)18-11-14-33(17-18)26-32-31-25(36-26)24(35)10-8-19-5-1-3-12-27-19/h1-7,9,12-13,18H,8,10-11,14-17H2/t18-/m1/s1
InChIKeyPWODVLQROGHBBQ-GOSISDBHSA-N
XLogP3.28
TPSA114.72 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one with MolForge

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Related Compounds

5-[(3S)-3-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 140762820
N-[6-[1-[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 147585160
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
2-pyridin-2-yl-N-[5-[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]oxy]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 121256426
1-[(3S)-1-methylpyrrolidin-3-yl]-4-pyridin-2-ylbutan-2-one
CID 58032898
N-[5-[3-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-2-pyridinyl]-2-pyridin-2-ylacetamide
CID 118219077
1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one
CID 58228779
2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 99822591
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575
1-[6-(aminomethyl)-2-pyridinyl]-3-[6-[(1S,3S)-3-[6-[3-[6-(aminomethyl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propan-2-one
CID 147502262
N-[6-[(3R)-1-[(2R)-2-methoxy-2-phenylpropanoyl]pyrrolidin-3-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide
CID 145224794
(2S,3aS,7aS)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-N-(pyridin-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155833620

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one (CID 157094836) is 1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one is O=C(Cc1ccccn1)Cc1ccc([C@@H]2CCN(c3nnc(C(=O)CCc4ccccn4)s3)C2)nn1.
What is the InChIKey of 1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is PWODVLQROGHBBQ-GOSISDBHSA-N. The full InChI is InChI=1S/C26H25N7O2S/c34-22(15-20-6-2-4-13-28-20)16-21-7-9-23(30-29-21)18-11-14-33(17-18)26-32-31-25(36-26)24(35)10-8-19-5-1-3-12-27-19/h1-7,9,12-13,18H,8,10-11,14-17H2/t18-/m1/s1.
What are the key properties of 1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one?
1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 499.60 g/mol, XLogP of 3.28, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3R)-3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 157094836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).