N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide

C55H51N13O2 — CID 158576099

IUPACN-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)ccnc2c1.CC(=O)Nc1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C28H26N6O.C27H25N7O/c1-19(35)32-22-7-10-25-24(11-12-29-27(25)15-22)26-17-31-34-18-21(16-30-28(26)34)20-5-8-23(9-6-20)33-13-3-2-4-14-33;1-18(35)32-21-4-7-24-23(8-9-29-26(24)14-21)25-16-31-34-17-20(15-30-27(25)34)19-2-5-22(6-3-19)33-12-10-28-11-13-33/h5-12,15-18H,2-4,13-14H2,1H3,(H,32,35);2-9,14-17,28H,10-13H2,1H3,(H,32,35)
InChIKeyHSRGBAYXVHAZBI-UHFFFAOYSA-N
MW926.10 g/mol
LogP9.54
Rot. Bonds8

About N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide

N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide (PubChem CID 158576099) has the molecular formula C55H51N13O2 and a molecular weight of 926.10 g/mol. Its IUPAC name is N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide
PubChem CID158576099
Molecular FormulaC55H51N13O2
Molecular Weight926.10 g/mol
Exact Mass925.43
IUPAC NameN-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)ccnc2c1.CC(=O)Nc1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1
InChIInChI=1S/C28H26N6O.C27H25N7O/c1-19(35)32-22-7-10-25-24(11-12-29-27(25)15-22)26-17-31-34-18-21(16-30-28(26)34)20-5-8-23(9-6-20)33-13-3-2-4-14-33;1-18(35)32-21-4-7-24-23(8-9-29-26(24)14-21)25-16-31-34-17-20(15-30-27(25)34)19-2-5-22(6-3-19)33-12-10-28-11-13-33/h5-12,15-18H,2-4,13-14H2,1H3,(H,32,35);2-9,14-17,28H,10-13H2,1H3,(H,32,35)
InChIKeyHSRGBAYXVHAZBI-UHFFFAOYSA-N
XLogP9.54
TPSA162.87 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500926.10
LogP ≤ 59.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 167584329
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline chloride
CID 146018845
[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]methanol
CID 118894226
N,N-dimethyl-5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide
CID 118664711
ethane;[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-8-yl]methanamine
CID 144728106
N-[5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]sulfanylmethanamine
CID 167058498
N-methyl-1-[5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-1-yl]ethenamine
CID 167566973
4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464396
7-ethenyliodanuidyl-4-[6-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 163291613
7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 170442659
5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 159256004
4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 118894215

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide?
The IUPAC name of N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide (CID 158576099) is N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide.
What is the SMILES notation for N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide?
The canonical SMILES for N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide is CC(=O)Nc1ccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)ccnc2c1.CC(=O)Nc1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1.
What is the InChIKey of N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide?
The InChIKey is HSRGBAYXVHAZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O.C27H25N7O/c1-19(35)32-22-7-10-25-24(11-12-29-27(25)15-22)26-17-31-34-18-21(16-30-28(26)34)20-5-8-23(9-6-20)33-13-3-2-4-14-33;1-18(35)32-21-4-7-24-23(8-9-29-26(24)14-21)25-16-31-34-17-20(15-30-27(25)34)19-2-5-22(6-3-19)33-12-10-28-11-13-33/h5-12,15-18H,2-4,13-14H2,1H3,(H,32,35);2-9,14-17,28H,10-13H2,1H3,(H,32,35).
What are the key properties of N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide?
N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide has a molecular weight of 926.10 g/mol, XLogP of 9.54, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide is sourced from PubChem (CID 158576099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).