propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate

C24H26FN5O3S — CID 58016984

IUPACpropan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(-c3nccs3)cc2F)CC1
InChIInChI=1S/C24H26FN5O3S/c1-15(2)32-24(31)29-9-5-17(6-10-29)33-22-18-7-11-30(21(18)27-14-28-22)20-4-3-16(13-19(20)25)23-26-8-12-34-23/h3-4,8,12-15,17H,5-7,9-11H2,1-2H3
InChIKeyNWTGCVSFINLOGB-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.82
Rot. Bonds5

About propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate

propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate (PubChem CID 58016984) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
PubChem CID58016984
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Namepropan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(-c3nccs3)cc2F)CC1
InChIInChI=1S/C24H26FN5O3S/c1-15(2)32-24(31)29-9-5-17(6-10-29)33-22-18-7-11-30(21(18)27-14-28-22)20-4-3-16(13-19(20)25)23-26-8-12-34-23/h3-4,8,12-15,17H,5-7,9-11H2,1-2H3
InChIKeyNWTGCVSFINLOGB-UHFFFAOYSA-N
XLogP4.82
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate (CID 58016984) is propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(-c3nccs3)cc2F)CC1.
What is the InChIKey of propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate?
The InChIKey is NWTGCVSFINLOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-15(2)32-24(31)29-9-5-17(6-10-29)33-22-18-7-11-30(21(18)27-14-28-22)20-4-3-16(13-19(20)25)23-26-8-12-34-23/h3-4,8,12-15,17H,5-7,9-11H2,1-2H3.
What are the key properties of propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate?
propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate has a molecular weight of 483.57 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[7-[2-fluoro-4-(1,3-thiazol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 58016984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).