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

C26H25F2N7 — CID 147195829

IUPAC6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
SMILESCc1[nH]c(C2CCN(c3ncnc4c3C=C(c3cnn(C(F)F)c3)C4)CC2)nc1-c1ccccc1
InChIInChI=1S/C26H25F2N7/c1-16-23(17-5-3-2-4-6-17)33-24(32-16)18-7-9-34(10-8-18)25-21-11-19(12-22(21)29-15-30-25)20-13-31-35(14-20)26(27)28/h2-6,11,13-15,18,26H,7-10,12H2,1H3,(H,32,33)
InChIKeyCCIQOIWNTZFHAM-UHFFFAOYSA-N
MW473.53 g/mol
LogP5.25
Rot. Bonds5

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

6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine (PubChem CID 147195829) has the molecular formula C26H25F2N7 and a molecular weight of 473.53 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-cyclopenta[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-cyclopenta[d]pyrimidine
PubChem CID147195829
Molecular FormulaC26H25F2N7
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
SMILESCc1[nH]c(C2CCN(c3ncnc4c3C=C(c3cnn(C(F)F)c3)C4)CC2)nc1-c1ccccc1
InChIInChI=1S/C26H25F2N7/c1-16-23(17-5-3-2-4-6-17)33-24(32-16)18-7-9-34(10-8-18)25-21-11-19(12-22(21)29-15-30-25)20-13-31-35(14-20)26(27)28/h2-6,11,13-15,18,26H,7-10,12H2,1H3,(H,32,33)
InChIKeyCCIQOIWNTZFHAM-UHFFFAOYSA-N
XLogP5.25
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
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-cyclopenta[d]pyrimidine with MolForge

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Related Compounds

6-(6-methoxy-3-pyridinyl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 159111041
6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 158375747
4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-6-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]-7H-cyclopenta[d]pyrimidine
CID 149389142
4-[4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
CID 159794772
4-[4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzonitrile
CID 157468204
6-(4-ethynylphenyl)-4-[4-[4-(3-methoxy-4-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 160642561
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine
CID 162036056
4-[4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidin-6-yl]benzenesulfonamide
CID 157206416
4-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(3-methoxyphenyl)-7H-cyclopenta[d]pyrimidine;6-(4-ethynylphenyl)-4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-(4-methyl-5-phenyl-1H-pyrrol-2-yl)piperidin-1-yl]-6-(1-methylpyrazol-4-yl)-7H-cyclopenta[d]pyrimidine
CID 159542396
6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413947
4-[4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 118413882
4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(4-ethynylphenyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[3-(difluoromethoxy)phenyl]-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-(4-ethyl-5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-6-(4-ethynylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157089364

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-cyclopenta[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-cyclopenta[d]pyrimidine (CID 147195829) is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[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-cyclopenta[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-cyclopenta[d]pyrimidine is Cc1[nH]c(C2CCN(c3ncnc4c3C=C(c3cnn(C(F)F)c3)C4)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-cyclopenta[d]pyrimidine?
The InChIKey is CCIQOIWNTZFHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7/c1-16-23(17-5-3-2-4-6-17)33-24(32-16)18-7-9-34(10-8-18)25-21-11-19(12-22(21)29-15-30-25)20-13-31-35(14-20)26(27)28/h2-6,11,13-15,18,26H,7-10,12H2,1H3,(H,32,33).
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-cyclopenta[d]pyrimidine?
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine has a molecular weight of 473.53 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 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-cyclopenta[d]pyrimidine is sourced from PubChem (CID 147195829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).