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

C24H22N4O — CID 165390842

IUPAC6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESC1=C(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CCNC1
InChIInChI=1S/C24H22N4O/c1-2-4-17(5-3-1)15-29-20-8-6-18(7-9-20)22-14-21-23(19-10-12-25-13-11-19)26-16-27-24(21)28-22/h1-10,14,16,25H,11-13,15H2,(H,26,27,28)
InChIKeyDWZBCUJJCMDXLL-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.58
Rot. Bonds5

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

6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 165390842) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID165390842
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESC1=C(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CCNC1
InChIInChI=1S/C24H22N4O/c1-2-4-17(5-3-1)15-29-20-8-6-18(7-9-20)22-14-21-23(19-10-12-25-13-11-19)26-16-27-24(21)28-22/h1-10,14,16,25H,11-13,15H2,(H,26,27,28)
InChIKeyDWZBCUJJCMDXLL-UHFFFAOYSA-N
XLogP4.58
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 165390842) is 6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine is C1=C(c2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)CCNC1.
What is the InChIKey of 6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is DWZBCUJJCMDXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-2-4-17(5-3-1)15-29-20-8-6-18(7-9-20)22-14-21-23(19-10-12-25-13-11-19)26-16-27-24(21)28-22/h1-10,14,16,25H,11-13,15H2,(H,26,27,28).
What are the key properties of 6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 382.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 165390842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).