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

C24H23F2N7OS — CID 24772108

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

[6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 24772108) has the molecular formula C24H23F2N7OS and a molecular weight of 495.56 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-methylpiperazin-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-methylpiperazin-1-yl)methanone
• PubChem CID: 24772108
• Molecular Formula: C24H23F2N7OS
• Molecular Weight: 495.56 g/mol
• Exact Mass: 495.17
• IUPAC Name: [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
• SMILES: CN1CCN(C(=O)c2ccc(Nc3nc4ccc(N(C)c5ccc(F)cc5F)nc4s3)nc2)CC1
• InChI: InChI=1S/C24H23F2N7OS/c1-31-9-11-33(12-10-31)23(34)15-3-7-20(27-14-15)29-24-28-18-5-8-21(30-22(18)35-24)32(2)19-6-4-16(25)13-17(19)26/h3-8,13-14H,9-12H2,1-2H3,(H,27,28,29)
• InChIKey: CIYSPPFFDPQLCT-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 77.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.56
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-methylpiperazin-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-methylpiperazin-1-yl)methanone (CID 24772108) is [6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-methylpiperazin-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-methylpiperazin-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-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(Nc3nc4ccc(N(C)c5ccc(F)cc5F)nc4s3)nc2)CC1.

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-methylpiperazin-1-yl)methanone?

The InChIKey is CIYSPPFFDPQLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7OS/c1-31-9-11-33(12-10-31)23(34)15-3-7-20(27-14-15)29-24-28-18-5-8-21(30-22(18)35-24)32(2)19-6-4-16(25)13-17(19)26/h3-8,13-14H,9-12H2,1-2H3,(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-methylpiperazin-1-yl)methanone?

[6-[[5-(2,4-difluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 495.56 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 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-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 24772108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).