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

C25H26N8 — CID 118413805

IUPAC4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5cnn(C)c5)cc34)CC2)nc1-c1ccccc1
InChIInChI=1S/C25H26N8/c1-16-22(17-6-4-3-5-7-17)31-23(29-16)18-8-10-33(11-9-18)25-20-12-21(19-13-28-32(2)14-19)30-24(20)26-15-27-25/h3-7,12-15,18H,8-11H2,1-2H3,(H,29,31)(H,26,27,30)
InChIKeyGUWKHOSDLNETKF-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.44
Rot. Bonds4

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

4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118413805) has the molecular formula C25H26N8 and a molecular weight of 438.54 g/mol. Its IUPAC name is 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID118413805
Molecular FormulaC25H26N8
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC Name4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5cnn(C)c5)cc34)CC2)nc1-c1ccccc1
InChIInChI=1S/C25H26N8/c1-16-22(17-6-4-3-5-7-17)31-23(29-16)18-8-10-33(11-9-18)25-20-12-21(19-13-28-32(2)14-19)30-24(20)26-15-27-25/h3-7,12-15,18H,8-11H2,1-2H3,(H,29,31)(H,26,27,30)
InChIKeyGUWKHOSDLNETKF-UHFFFAOYSA-N
XLogP4.44
TPSA91.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 118413805) is 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine is Cc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5cnn(C)c5)cc34)CC2)nc1-c1ccccc1.
What is the InChIKey of 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is GUWKHOSDLNETKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8/c1-16-22(17-6-4-3-5-7-17)31-23(29-16)18-8-10-33(11-9-18)25-20-12-21(19-13-28-32(2)14-19)30-24(20)26-15-27-25/h3-7,12-15,18H,8-11H2,1-2H3,(H,29,31)(H,26,27,30).
What are the key properties of 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 438.54 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118413805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).