1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol

C26H35N7O2S — CID 123656298

About 1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol

1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol (PubChem CID 123656298) has the molecular formula C26H35N7O2S and a molecular weight of 509.68 g/mol. Its IUPAC name is 1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol.

Molecular Properties

• Compound Name: 1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol
• PubChem CID: 123656298
• Molecular Formula: C26H35N7O2S
• Molecular Weight: 509.68 g/mol
• Exact Mass: 509.26
• IUPAC Name: 1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol
• SMILES: C=CC(O)N1CCCC(Nc2cc(CN3CC(C)OC(C)C3)cc(Nc3nc4cccnc4s3)n2)C1
• InChI: InChI=1S/C26H35N7O2S/c1-4-24(34)33-10-6-7-20(16-33)28-22-11-19(15-32-13-17(2)35-18(3)14-32)12-23(30-22)31-26-29-21-8-5-9-27-25(21)36-26/h4-5,8-9,11-12,17-18,20,24,34H,1,6-7,10,13-16H2,2-3H3,(H2,28,29,30,31)
• InChIKey: HMHCLYIQOYWZQW-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 98.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.68
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol?

The IUPAC name of 1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol (CID 123656298) is 1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol.

What is the SMILES notation for 1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol?

The canonical SMILES for 1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol is C=CC(O)N1CCCC(Nc2cc(CN3CC(C)OC(C)C3)cc(Nc3nc4cccnc4s3)n2)C1.

What is the InChIKey of 1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol?

The InChIKey is HMHCLYIQOYWZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2S/c1-4-24(34)33-10-6-7-20(16-33)28-22-11-19(15-32-13-17(2)35-18(3)14-32)12-23(30-22)31-26-29-21-8-5-9-27-25(21)36-26/h4-5,8-9,11-12,17-18,20,24,34H,1,6-7,10,13-16H2,2-3H3,(H2,28,29,30,31).

What are the key properties of 1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol?

1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol has a molecular weight of 509.68 g/mol, XLogP of 3.82, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]piperidin-1-yl]prop-2-en-1-ol is sourced from PubChem (CID 123656298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).