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

C26H25FN6S — CID 118413918

IUPAC6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccc(F)cc6)cc45)CC3)[nH]c2C)s1
InChIInChI=1S/C26H25FN6S/c1-15-3-8-22(34-15)23-16(2)30-24(32-23)18-9-11-33(12-10-18)26-20-13-21(31-25(20)28-14-29-26)17-4-6-19(27)7-5-17/h3-8,13-14,18H,9-12H2,1-2H3,(H,30,32)(H,28,29,31)
InChIKeyFKROJZFWZAIOKT-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.22
Rot. Bonds4

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

6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118413918) has the molecular formula C26H25FN6S and a molecular weight of 472.59 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID118413918
Molecular FormulaC26H25FN6S
Molecular Weight472.59 g/mol
Exact Mass472.18
IUPAC Name6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccc(F)cc6)cc45)CC3)[nH]c2C)s1
InChIInChI=1S/C26H25FN6S/c1-15-3-8-22(34-15)23-16(2)30-24(32-23)18-9-11-33(12-10-18)26-20-13-21(31-25(20)28-14-29-26)17-4-6-19(27)7-5-17/h3-8,13-14,18H,9-12H2,1-2H3,(H,30,32)(H,28,29,31)
InChIKeyFKROJZFWZAIOKT-UHFFFAOYSA-N
XLogP6.22
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 118413918) is 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccc(F)cc6)cc45)CC3)[nH]c2C)s1.
What is the InChIKey of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is FKROJZFWZAIOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6S/c1-15-3-8-22(34-15)23-16(2)30-24(32-23)18-9-11-33(12-10-18)26-20-13-21(31-25(20)28-14-29-26)17-4-6-19(27)7-5-17/h3-8,13-14,18H,9-12H2,1-2H3,(H,30,32)(H,28,29,31).
What are the key properties of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 472.59 g/mol, XLogP of 6.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118413918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).