4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine

C23H19N5O — CID 165390855

IUPAC4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCn1cc(-c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)cn1
InChIInChI=1S/C23H19N5O/c1-28-13-18(12-26-28)22-20-11-21(27-23(20)25-15-24-22)17-7-9-19(10-8-17)29-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,24,25,27)
InChIKeyYXIOXKFXWBWEEG-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.60
Rot. Bonds5

About 4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine

4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 165390855) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID165390855
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCn1cc(-c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)cn1
InChIInChI=1S/C23H19N5O/c1-28-13-18(12-26-28)22-20-11-21(27-23(20)25-15-24-22)17-7-9-19(10-8-17)29-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,24,25,27)
InChIKeyYXIOXKFXWBWEEG-UHFFFAOYSA-N
XLogP4.60
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 165390855) is 4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine is Cn1cc(-c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is YXIOXKFXWBWEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-28-13-18(12-26-28)22-20-11-21(27-23(20)25-15-24-22)17-7-9-19(10-8-17)29-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,24,25,27).
What are the key properties of 4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 381.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 165390855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).