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

C27H29N7 — CID 158375747

IUPAC6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
SMILESCc1nn(C)cc1C1=Cc2c(ncnc2N2CCC(c3nc(-c4ccccc4)c(C)[nH]3)CC2)C1
InChIInChI=1S/C27H29N7/c1-17-23(15-33(3)32-17)21-13-22-24(14-21)28-16-29-27(22)34-11-9-20(10-12-34)26-30-18(2)25(31-26)19-7-5-4-6-8-19/h4-8,13,15-16,20H,9-12,14H2,1-3H3,(H,30,31)
InChIKeyGVEAMVBEKVLVLM-UHFFFAOYSA-N
MW451.58 g/mol
LogP4.70
Rot. Bonds4

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

6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine (PubChem CID 158375747) has the molecular formula C27H29N7 and a molecular weight of 451.58 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
PubChem CID158375747
Molecular FormulaC27H29N7
Molecular Weight451.58 g/mol
Exact Mass451.25
IUPAC Name6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine
SMILESCc1nn(C)cc1C1=Cc2c(ncnc2N2CCC(c3nc(-c4ccccc4)c(C)[nH]3)CC2)C1
InChIInChI=1S/C27H29N7/c1-17-23(15-33(3)32-17)21-13-22-24(14-21)28-16-29-27(22)34-11-9-20(10-12-34)26-30-18(2)25(31-26)19-7-5-4-6-8-19/h4-8,13,15-16,20H,9-12,14H2,1-3H3,(H,30,31)
InChIKeyGVEAMVBEKVLVLM-UHFFFAOYSA-N
XLogP4.70
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
The IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine (CID 158375747) is 6-(1,3-dimethylpyrazol-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-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
The canonical SMILES for 6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine is Cc1nn(C)cc1C1=Cc2c(ncnc2N2CCC(c3nc(-c4ccccc4)c(C)[nH]3)CC2)C1.
What is the InChIKey of 6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
The InChIKey is GVEAMVBEKVLVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7/c1-17-23(15-33(3)32-17)21-13-22-24(14-21)28-16-29-27(22)34-11-9-20(10-12-34)26-30-18(2)25(31-26)19-7-5-4-6-8-19/h4-8,13,15-16,20H,9-12,14H2,1-3H3,(H,30,31).
What are the key properties of 6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine?
6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine has a molecular weight of 451.58 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazol-4-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 158375747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).