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

C25H24F2N8 — CID 118413864

IUPAC6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5cnn(C(F)F)c5)cc34)CC2)nc1-c1ccccc1
InChIInChI=1S/C25H24F2N8/c1-15-21(16-5-3-2-4-6-16)33-22(31-15)17-7-9-34(10-8-17)24-19-11-20(32-23(19)28-14-29-24)18-12-30-35(13-18)25(26)27/h2-6,11-14,17,25H,7-10H2,1H3,(H,31,33)(H,28,29,32)
InChIKeyRDMPWRMMTKATPY-UHFFFAOYSA-N
MW474.52 g/mol
LogP5.30
Rot. Bonds5

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

6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118413864) has the molecular formula C25H24F2N8 and a molecular weight of 474.52 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID118413864
Molecular FormulaC25H24F2N8
Molecular Weight474.52 g/mol
Exact Mass474.21
IUPAC Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5cnn(C(F)F)c5)cc34)CC2)nc1-c1ccccc1
InChIInChI=1S/C25H24F2N8/c1-15-21(16-5-3-2-4-6-16)33-22(31-15)17-7-9-34(10-8-17)24-19-11-20(32-23(19)28-14-29-24)18-12-30-35(13-18)25(26)27/h2-6,11-14,17,25H,7-10H2,1H3,(H,31,33)(H,28,29,32)
InChIKeyRDMPWRMMTKATPY-UHFFFAOYSA-N
XLogP5.30
TPSA91.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 118413864) is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1[nH]c(C2CCN(c3ncnc4[nH]c(-c5cnn(C(F)F)c5)cc34)CC2)nc1-c1ccccc1.
What is the InChIKey of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is RDMPWRMMTKATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N8/c1-15-21(16-5-3-2-4-6-16)33-22(31-15)17-7-9-34(10-8-17)24-19-11-20(32-23(19)28-14-29-24)18-12-30-35(13-18)25(26)27/h2-6,11-14,17,25H,7-10H2,1H3,(H,31,33)(H,28,29,32).
What are the key properties of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 474.52 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118413864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).