[6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone

C24H22F2N6O2S — CID 24772110

IUPAC[6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCN(c1ccc2nc(Nc3ccc(C(=O)N4CCC(O)CC4)cn3)sc2n1)c1ccc(F)cc1F
InChIInChI=1S/C24H22F2N6O2S/c1-31(19-5-3-15(25)12-17(19)26)21-7-4-18-22(30-21)35-24(28-18)29-20-6-2-14(13-27-20)23(34)32-10-8-16(33)9-11-32/h2-7,12-13,16,33H,8-11H2,1H3,(H,27,28,29)
InChIKeyNUQVKJMQIFEEKK-UHFFFAOYSA-N
MW496.54 g/mol
LogP4.47
Rot. Bonds5

About [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone

[6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 24772110) has the molecular formula C24H22F2N6O2S and a molecular weight of 496.54 g/mol. Its IUPAC name is [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID24772110
Molecular FormulaC24H22F2N6O2S
Molecular Weight496.54 g/mol
Exact Mass496.15
IUPAC Name[6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCN(c1ccc2nc(Nc3ccc(C(=O)N4CCC(O)CC4)cn3)sc2n1)c1ccc(F)cc1F
InChIInChI=1S/C24H22F2N6O2S/c1-31(19-5-3-15(25)12-17(19)26)21-7-4-18-22(30-21)35-24(28-18)29-20-6-2-14(13-27-20)23(34)32-10-8-16(33)9-11-32/h2-7,12-13,16,33H,8-11H2,1H3,(H,27,28,29)
InChIKeyNUQVKJMQIFEEKK-UHFFFAOYSA-N
XLogP4.47
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone (CID 24772110) is [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone is CN(c1ccc2nc(Nc3ccc(C(=O)N4CCC(O)CC4)cn3)sc2n1)c1ccc(F)cc1F.
What is the InChIKey of [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is NUQVKJMQIFEEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2S/c1-31(19-5-3-15(25)12-17(19)26)21-7-4-18-22(30-21)35-24(28-18)29-20-6-2-14(13-27-20)23(34)32-10-8-16(33)9-11-32/h2-7,12-13,16,33H,8-11H2,1H3,(H,27,28,29).
What are the key properties of [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
[6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 496.54 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 24772110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).