4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline

C94H82N20 — CID 158931027

IUPAC4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline
SMILESc1ccc(C(c2ccc3ccccc3n2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.c1ccc(C(c2cccc3ccccc23)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.c1ccc(C(c2ccnc3ccccc23)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C32H28N6.2C31H27N7/c1-3-11-25(12-4-1)30(28-17-9-13-24-10-7-8-16-27(24)28)36-18-20-37(21-19-36)31-29-22-35-38(32(29)34-23-33-31)26-14-5-2-6-15-26;1-3-10-24(11-4-1)29(28-16-15-23-9-7-8-14-27(23)35-28)36-17-19-37(20-18-36)30-26-21-34-38(31(26)33-22-32-30)25-12-5-2-6-13-25;1-3-9-23(10-4-1)29(26-15-16-32-28-14-8-7-13-25(26)28)36-17-19-37(20-18-36)30-27-21-35-38(31(27)34-22-33-30)24-11-5-2-6-12-24/h1-17,22-23,30H,18-21H2;2*1-16,21-22,29H,17-20H2
InChIKeyJJBBPZDWDRYGKR-UHFFFAOYSA-N
MW1491.83 g/mol
LogP16.43
Rot. Bonds15

About 4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline

4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline (PubChem CID 158931027) has the molecular formula C94H82N20 and a molecular weight of 1491.83 g/mol. Its IUPAC name is 4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline
PubChem CID158931027
Molecular FormulaC94H82N20
Molecular Weight1491.83 g/mol
Exact Mass1490.70
IUPAC Name4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline
SMILESc1ccc(C(c2ccc3ccccc3n2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.c1ccc(C(c2cccc3ccccc23)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.c1ccc(C(c2ccnc3ccccc23)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C32H28N6.2C31H27N7/c1-3-11-25(12-4-1)30(28-17-9-13-24-10-7-8-16-27(24)28)36-18-20-37(21-19-36)31-29-22-35-38(32(29)34-23-33-31)26-14-5-2-6-15-26;1-3-10-24(11-4-1)29(28-16-15-23-9-7-8-14-27(23)35-28)36-17-19-37(20-18-36)30-26-21-34-38(31(26)33-22-32-30)25-12-5-2-6-13-25;1-3-9-23(10-4-1)29(26-15-16-32-28-14-8-7-13-25(26)28)36-17-19-37(20-18-36)30-27-21-35-38(31(27)34-22-33-30)24-11-5-2-6-12-24/h1-17,22-23,30H,18-21H2;2*1-16,21-22,29H,17-20H2
InChIKeyJJBBPZDWDRYGKR-UHFFFAOYSA-N
XLogP16.43
TPSA176.02 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001491.83
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline with MolForge

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Related Compounds

4-[4-[(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 4082420
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844
1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
4-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidine
CID 27486956
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 950348
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
4-[phenyl(piperazin-1-yl)methyl]quinoline
CID 3561540
1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 164635273
1-[naphthalen-1-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
CID 3875881

Frequently Asked Questions

What is the IUPAC name of 4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline?
The IUPAC name of 4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline (CID 158931027) is 4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline is c1ccc(C(c2ccc3ccccc3n2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.c1ccc(C(c2cccc3ccccc23)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.c1ccc(C(c2ccnc3ccccc23)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline?
The InChIKey is JJBBPZDWDRYGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N6.2C31H27N7/c1-3-11-25(12-4-1)30(28-17-9-13-24-10-7-8-16-27(24)28)36-18-20-37(21-19-36)31-29-22-35-38(32(29)34-23-33-31)26-14-5-2-6-15-26;1-3-10-24(11-4-1)29(28-16-15-23-9-7-8-14-27(23)35-28)36-17-19-37(20-18-36)30-26-21-34-38(31(26)33-22-32-30)25-12-5-2-6-13-25;1-3-9-23(10-4-1)29(26-15-16-32-28-14-8-7-13-25(26)28)36-17-19-37(20-18-36)30-27-21-35-38(31(27)34-22-33-30)24-11-5-2-6-12-24/h1-17,22-23,30H,18-21H2;2*1-16,21-22,29H,17-20H2.
What are the key properties of 4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline?
4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline has a molecular weight of 1491.83 g/mol, XLogP of 16.43, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[naphthalen-1-yl(phenyl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine;2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline;4-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 158931027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).