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

C26H25ClN6S — CID 130455484

IUPAC4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(-c2cc3c(N4CCC(c5nc(-c6ccc(Cl)s6)c(C)[nH]5)CC4)ncnc3[nH]2)cc1
InChIInChI=1S/C26H25ClN6S/c1-15-3-5-17(6-4-15)20-13-19-25(31-20)28-14-29-26(19)33-11-9-18(10-12-33)24-30-16(2)23(32-24)21-7-8-22(27)34-21/h3-8,13-14,18H,9-12H2,1-2H3,(H,30,32)(H,28,29,31)
InChIKeyYABCZPDAOZZVTM-UHFFFAOYSA-N
MW489.05 g/mol
LogP6.73
Rot. Bonds4

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

4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 130455484) has the molecular formula C26H25ClN6S and a molecular weight of 489.05 g/mol. Its IUPAC name is 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID130455484
Molecular FormulaC26H25ClN6S
Molecular Weight489.05 g/mol
Exact Mass488.15
IUPAC Name4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(-c2cc3c(N4CCC(c5nc(-c6ccc(Cl)s6)c(C)[nH]5)CC4)ncnc3[nH]2)cc1
InChIInChI=1S/C26H25ClN6S/c1-15-3-5-17(6-4-15)20-13-19-25(31-20)28-14-29-26(19)33-11-9-18(10-12-33)24-30-16(2)23(32-24)21-7-8-22(27)34-21/h3-8,13-14,18H,9-12H2,1-2H3,(H,30,32)(H,28,29,31)
InChIKeyYABCZPDAOZZVTM-UHFFFAOYSA-N
XLogP6.73
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.05
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 130455484) is 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine is Cc1ccc(-c2cc3c(N4CCC(c5nc(-c6ccc(Cl)s6)c(C)[nH]5)CC4)ncnc3[nH]2)cc1.
What is the InChIKey of 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is YABCZPDAOZZVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6S/c1-15-3-5-17(6-4-15)20-13-19-25(31-20)28-14-29-26(19)33-11-9-18(10-12-33)24-30-16(2)23(32-24)21-7-8-22(27)34-21/h3-8,13-14,18H,9-12H2,1-2H3,(H,30,32)(H,28,29,31).
What are the key properties of 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 489.05 g/mol, XLogP of 6.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 130455484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).