4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole

C24H29N5OS — CID 70683181

IUPAC4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCC1(C)CN(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c21
InChIInChI=1S/C24H29N5OS/c1-24(2)15-29(12-18-6-4-3-5-7-18)22-21(24)23(26-16-25-22)30-20-8-10-28(11-9-20)13-19-14-31-17-27-19/h3-7,14,16-17,20H,8-13,15H2,1-2H3
InChIKeyPZSZWWKYXIGFLI-UHFFFAOYSA-N
MW435.60 g/mol
LogP4.27
Rot. Bonds6

About 4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole

4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 70683181) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID70683181
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCC1(C)CN(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c21
InChIInChI=1S/C24H29N5OS/c1-24(2)15-29(12-18-6-4-3-5-7-18)22-21(24)23(26-16-25-22)30-20-8-10-28(11-9-20)13-19-14-31-17-27-19/h3-7,14,16-17,20H,8-13,15H2,1-2H3
InChIKeyPZSZWWKYXIGFLI-UHFFFAOYSA-N
XLogP4.27
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole (CID 70683181) is 4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole is CC1(C)CN(Cc2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c21.
What is the InChIKey of 4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is PZSZWWKYXIGFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-24(2)15-29(12-18-6-4-3-5-7-18)22-21(24)23(26-16-25-22)30-20-8-10-28(11-9-20)13-19-14-31-17-27-19/h3-7,14,16-17,20H,8-13,15H2,1-2H3.
What are the key properties of 4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 435.60 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(7-benzyl-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 70683181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).