4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol

C25H26N4O2 — CID 165390838

IUPAC4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCC1(O)CCN(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C25H26N4O2/c1-25(30)11-13-29(14-12-25)24-21-15-22(28-23(21)26-17-27-24)19-7-9-20(10-8-19)31-16-18-5-3-2-4-6-18/h2-10,15,17,30H,11-14,16H2,1H3,(H,26,27,28)
InChIKeyAHIXKZBOCCYYIP-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.56
Rot. Bonds5

About 4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol

4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 165390838) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
PubChem CID165390838
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol
SMILESCC1(O)CCN(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CC1
InChIInChI=1S/C25H26N4O2/c1-25(30)11-13-29(14-12-25)24-21-15-22(28-23(21)26-17-27-24)19-7-9-20(10-8-19)31-16-18-5-3-2-4-6-18/h2-10,15,17,30H,11-14,16H2,1H3,(H,26,27,28)
InChIKeyAHIXKZBOCCYYIP-UHFFFAOYSA-N
XLogP4.56
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol (CID 165390838) is 4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol is CC1(O)CCN(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CC1.
What is the InChIKey of 4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is AHIXKZBOCCYYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-25(30)11-13-29(14-12-25)24-21-15-22(28-23(21)26-17-27-24)19-7-9-20(10-8-19)31-16-18-5-3-2-4-6-18/h2-10,15,17,30H,11-14,16H2,1H3,(H,26,27,28).
What are the key properties of 4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol?
4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 414.51 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 165390838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).