2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C27H28N6 — CID 26399314

IUPAC2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(-c2nc3c(c(N4CCN(Cc5cccc(-n6cccn6)c5)CC4)n2)CCC3)cc1
InChIInChI=1S/C27H28N6/c1-2-8-22(9-3-1)26-29-25-12-5-11-24(25)27(30-26)32-17-15-31(16-18-32)20-21-7-4-10-23(19-21)33-14-6-13-28-33/h1-4,6-10,13-14,19H,5,11-12,15-18,20H2
InChIKeyFITDVLKSEAQBJH-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.14
Rot. Bonds5

About 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 26399314) has the molecular formula C27H28N6 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID26399314
Molecular FormulaC27H28N6
Molecular Weight436.56 g/mol
Exact Mass436.24
IUPAC Name2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESc1ccc(-c2nc3c(c(N4CCN(Cc5cccc(-n6cccn6)c5)CC4)n2)CCC3)cc1
InChIInChI=1S/C27H28N6/c1-2-8-22(9-3-1)26-29-25-12-5-11-24(25)27(30-26)32-17-15-31(16-18-32)20-21-7-4-10-23(19-21)33-14-6-13-28-33/h1-4,6-10,13-14,19H,5,11-12,15-18,20H2
InChIKeyFITDVLKSEAQBJH-UHFFFAOYSA-N
XLogP4.14
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-[4-(3-pyrazol-1-ylpropyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 25385316
4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 25378321
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 118765657
4-(4-benzyl-1,4-diazepan-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 71858582
1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane
CID 70735219
3-[[4-(azepan-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 5217862
4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
6-[(3-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 3372797
5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine
CID 10428496
1-phenoxy-3-[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 86934748
4-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166225634

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 26399314) is 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is c1ccc(-c2nc3c(c(N4CCN(Cc5cccc(-n6cccn6)c5)CC4)n2)CCC3)cc1.
What is the InChIKey of 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is FITDVLKSEAQBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6/c1-2-8-22(9-3-1)26-29-25-12-5-11-24(25)27(30-26)32-17-15-31(16-18-32)20-21-7-4-10-23(19-21)33-14-6-13-28-33/h1-4,6-10,13-14,19H,5,11-12,15-18,20H2.
What are the key properties of 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 436.56 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 26399314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).