4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine

C26H32N6O — CID 118429011

IUPAC4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOCc1cc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(C)cc45)CC3)[nH]c2C)ccc1C
InChIInChI=1S/C26H32N6O/c1-16-6-7-19(13-20(16)14-33-5)22-18(3)30-25(31-22)26(4)8-10-32(11-9-26)24-21-12-17(2)29-23(21)27-15-28-24/h6-7,12-13,15H,8-11,14H2,1-5H3,(H,30,31)(H,27,28,29)
InChIKeyVRYAGDAMAXUIRX-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.98
Rot. Bonds5

About 4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine

4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118429011) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID118429011
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOCc1cc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(C)cc45)CC3)[nH]c2C)ccc1C
InChIInChI=1S/C26H32N6O/c1-16-6-7-19(13-20(16)14-33-5)22-18(3)30-25(31-22)26(4)8-10-32(11-9-26)24-21-12-17(2)29-23(21)27-15-28-24/h6-7,12-13,15H,8-11,14H2,1-5H3,(H,30,31)(H,27,28,29)
InChIKeyVRYAGDAMAXUIRX-UHFFFAOYSA-N
XLogP4.98
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 118429011) is 4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine is COCc1cc(-c2nc(C3(C)CCN(c4ncnc5[nH]c(C)cc45)CC3)[nH]c2C)ccc1C.
What is the InChIKey of 4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is VRYAGDAMAXUIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-16-6-7-19(13-20(16)14-33-5)22-18(3)30-25(31-22)26(4)8-10-32(11-9-26)24-21-12-17(2)29-23(21)27-15-28-24/h6-7,12-13,15H,8-11,14H2,1-5H3,(H,30,31)(H,27,28,29).
What are the key properties of 4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine?
4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 444.58 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[3-(methoxymethyl)-4-methylphenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118429011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).