(4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone

C26H25N5O2S — CID 58706618

IUPAC(4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccnc(Nc2cccc(-c3cnc(C4CCN(C(=O)c5ccc(O)cc5)CC4)s3)n2)c1
InChIInChI=1S/C26H25N5O2S/c1-17-9-12-27-24(15-17)30-23-4-2-3-21(29-23)22-16-28-25(34-22)18-10-13-31(14-11-18)26(33)19-5-7-20(32)8-6-19/h2-9,12,15-16,18,32H,10-11,13-14H2,1H3,(H,27,29,30)
InChIKeyPLNPDJCHEBAWEB-UHFFFAOYSA-N
MW471.59 g/mol
LogP5.38
Rot. Bonds5

About (4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone

(4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 58706618) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
PubChem CID58706618
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name(4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccnc(Nc2cccc(-c3cnc(C4CCN(C(=O)c5ccc(O)cc5)CC4)s3)n2)c1
InChIInChI=1S/C26H25N5O2S/c1-17-9-12-27-24(15-17)30-23-4-2-3-21(29-23)22-16-28-25(34-22)18-10-13-31(14-11-18)26(33)19-5-7-20(32)8-6-19/h2-9,12,15-16,18,32H,10-11,13-14H2,1H3,(H,27,29,30)
InChIKeyPLNPDJCHEBAWEB-UHFFFAOYSA-N
XLogP5.38
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.59
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone (CID 58706618) is (4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone is Cc1ccnc(Nc2cccc(-c3cnc(C4CCN(C(=O)c5ccc(O)cc5)CC4)s3)n2)c1.
What is the InChIKey of (4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is PLNPDJCHEBAWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-17-9-12-27-24(15-17)30-23-4-2-3-21(29-23)22-16-28-25(34-22)18-10-13-31(14-11-18)26(33)19-5-7-20(32)8-6-19/h2-9,12,15-16,18,32H,10-11,13-14H2,1H3,(H,27,29,30).
What are the key properties of (4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
(4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 471.59 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 58706618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).