(2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone

C24H20F2N4OS — CID 60504520

IUPAC(2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C24H20F2N4OS/c25-16-7-5-15(6-8-16)19-13-32-23-21(19)22(27-14-28-23)29-17-9-11-30(12-10-17)24(31)18-3-1-2-4-20(18)26/h1-8,13-14,17H,9-12H2,(H,27,28,29)
InChIKeyCQQMNROUVPZAOB-UHFFFAOYSA-N
MW450.51 g/mol
LogP5.35
Rot. Bonds4

About (2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 60504520) has the molecular formula C24H20F2N4OS and a molecular weight of 450.51 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone
PubChem CID60504520
Molecular FormulaC24H20F2N4OS
Molecular Weight450.51 g/mol
Exact Mass450.13
IUPAC Name(2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C24H20F2N4OS/c25-16-7-5-15(6-8-16)19-13-32-23-21(19)22(27-14-28-23)29-17-9-11-30(12-10-17)24(31)18-3-1-2-4-20(18)26/h1-8,13-14,17H,9-12H2,(H,27,28,29)
InChIKeyCQQMNROUVPZAOB-UHFFFAOYSA-N
XLogP5.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24592338
1-[4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 39967644
(3R)-3-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]oxolan-2-one
CID 97242121
N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 985393
N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9025411
5-phenyl-N-(1-propylsulfonylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 60503194
2-[6-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137268094
methyl 4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate
CID 9195748
5-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
CID 166211068
(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
CID 119111056
(2-fluorophenyl)-[4-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]methanone
CID 133442278
N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 92725820

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone (CID 60504520) is (2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone is O=C(c1ccccc1F)N1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c23)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is CQQMNROUVPZAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4OS/c25-16-7-5-15(6-8-16)19-13-32-23-21(19)22(27-14-28-23)29-17-9-11-30(12-10-17)24(31)18-3-1-2-4-20(18)26/h1-8,13-14,17H,9-12H2,(H,27,28,29).
What are the key properties of (2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 450.51 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 60504520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).