2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide

C25H27FN8O3S — CID 56941286

IUPAC2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCNc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1
InChIInChI=1S/C25H27FN8O3S/c26-17-3-5-19(6-4-17)37-16-22(35)27-8-9-29-24-30-18(15-34-10-12-36-13-11-34)14-21(32-24)33-25-31-20-2-1-7-28-23(20)38-25/h1-7,14H,8-13,15-16H2,(H,27,35)(H2,29,30,31,32,33)
InChIKeyGNPNLFIRNKEEIR-UHFFFAOYSA-N
MW538.61 g/mol
LogP2.80
Rot. Bonds11

About 2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide

2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide (PubChem CID 56941286) has the molecular formula C25H27FN8O3S and a molecular weight of 538.61 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide
PubChem CID56941286
Molecular FormulaC25H27FN8O3S
Molecular Weight538.61 g/mol
Exact Mass538.19
IUPAC Name2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCNc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1
InChIInChI=1S/C25H27FN8O3S/c26-17-3-5-19(6-4-17)37-16-22(35)27-8-9-29-24-30-18(15-34-10-12-36-13-11-34)14-21(32-24)33-25-31-20-2-1-7-28-23(20)38-25/h1-7,14H,8-13,15-16H2,(H,27,35)(H2,29,30,31,32,33)
InChIKeyGNPNLFIRNKEEIR-UHFFFAOYSA-N
XLogP2.80
TPSA126.42 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide with MolForge

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Related Compounds

N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine
CID 46209045
1-[4-(5-Amino-2-pyridin-3-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46894120
5-Amino-2-(4-fluorophenyl)-7-(4-(2-phenoxyacetyl)-piperazin-1-yl)-thiazolo[5,4-d]pyrimidine
CID 50941963
1-[4-[5-Amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 50941964
1-[4-[5-Amino-2-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 50941966
1-(4-(5-Amino-2-(pyridin-4-yl)thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 50942247
1-(4-(5-Amino-2-(pyridin-2-yl)thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 50942248
1-(4-(5-Amino-2-(pyridin-3-yl)thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 50942249
1-(4-(5-Amino-2-(pyridin-3-yl)thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 50942250
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 71572646
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 71573239
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-2-methyl-3-pyridinyl)-3-methylpiperazine-1-carboxamide
CID 122443959

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide (CID 56941286) is 2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide is O=C(COc1ccc(F)cc1)NCCNc1nc(CN2CCOCC2)cc(Nc2nc3cccnc3s2)n1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide?
The InChIKey is GNPNLFIRNKEEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O3S/c26-17-3-5-19(6-4-17)37-16-22(35)27-8-9-29-24-30-18(15-34-10-12-36-13-11-34)14-21(32-24)33-25-31-20-2-1-7-28-23(20)38-25/h1-7,14H,8-13,15-16H2,(H,27,35)(H2,29,30,31,32,33).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide has a molecular weight of 538.61 g/mol, XLogP of 2.80, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 56941286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).