3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide

C62H64BBrN12O4 — CID 158379779

IUPAC3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide
SMILESBrc1cnn2cc(-c3ccc(N4CCCCC4)cc3)cnc12.CC(=O)Nc1ccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)ccnc2c1.CC(=O)Nc1ccc2c(B3OC(C)(C)C(C)(C)O3)ccnc2c1
InChIInChI=1S/C28H26N6O.C17H21BN2O3.C17H17BrN4/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;1-11(21)20-12-6-7-13-14(8-9-19-15(13)10-12)18-22-16(2,3)17(4,5)23-18;18-16-11-20-22-12-14(10-19-17(16)22)13-4-6-15(7-5-13)21-8-2-1-3-9-21/h5-12,15-18H,2-4,13-14H2,1H3,(H,32,35);6-10H,1-5H3,(H,20,21);4-7,10-12H,1-3,8-9H2
InChIKeyGVQLKLTYAPSSCI-UHFFFAOYSA-N
MW1131.99 g/mol
LogP12.20
Rot. Bonds8

About 3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide

3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide (PubChem CID 158379779) has the molecular formula C62H64BBrN12O4 and a molecular weight of 1131.99 g/mol. Its IUPAC name is 3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide.

Molecular Properties

Compound Name3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide
PubChem CID158379779
Molecular FormulaC62H64BBrN12O4
Molecular Weight1131.99 g/mol
Exact Mass1130.44
IUPAC Name3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide
SMILESBrc1cnn2cc(-c3ccc(N4CCCCC4)cc3)cnc12.CC(=O)Nc1ccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)ccnc2c1.CC(=O)Nc1ccc2c(B3OC(C)(C)C(C)(C)O3)ccnc2c1
InChIInChI=1S/C28H26N6O.C17H21BN2O3.C17H17BrN4/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;1-11(21)20-12-6-7-13-14(8-9-19-15(13)10-12)18-22-16(2,3)17(4,5)23-18;18-16-11-20-22-12-14(10-19-17(16)22)13-4-6-15(7-5-13)21-8-2-1-3-9-21/h5-12,15-18H,2-4,13-14H2,1H3,(H,32,35);6-10H,1-5H3,(H,20,21);4-7,10-12H,1-3,8-9H2
InChIKeyGVQLKLTYAPSSCI-UHFFFAOYSA-N
XLogP12.20
TPSA169.30 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001131.99
LogP ≤ 512.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-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

N-[4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide
CID 117603075
US11459329, Example 23
CID 150244708
2-[3-[7-Amino-6-bromo-5-[(piperidin-4-ylamino)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-yl]-1-[4-[[6-bromo-3-(6-fluoro-4a,5-dihydroquinolin-3-yl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone
CID 91034092
1-[4-[[7-Amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-[3-[6-bromo-7-methyl-5-[(piperidin-4-ylamino)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-yl]ethanone
CID 91249394
1-[3-[[6-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone;1-[3-[(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157092599
1-[3-[[6-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-1-methylpyrazolo[3,4-d]pyrimidin-3-yl]amino]-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-methyl-3-[[1-methyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 161459061
1-[3-Fluoro-4-[[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]piperazin-1-yl]methyl]phenyl]-1,3-diazinane-2,4-dione
CID 172316662
1-[1-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 58173288
(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one
CID 58173359
(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 58173491
8-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 58173509
5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one
CID 76693108

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide?
The IUPAC name of 3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide (CID 158379779) is 3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide.
What is the SMILES notation for 3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide?
The canonical SMILES for 3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide is Brc1cnn2cc(-c3ccc(N4CCCCC4)cc3)cnc12.CC(=O)Nc1ccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)ccnc2c1.CC(=O)Nc1ccc2c(B3OC(C)(C)C(C)(C)O3)ccnc2c1.
What is the InChIKey of 3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide?
The InChIKey is GVQLKLTYAPSSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O.C17H21BN2O3.C17H17BrN4/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;1-11(21)20-12-6-7-13-14(8-9-19-15(13)10-12)18-22-16(2,3)17(4,5)23-18;18-16-11-20-22-12-14(10-19-17(16)22)13-4-6-15(7-5-13)21-8-2-1-3-9-21/h5-12,15-18H,2-4,13-14H2,1H3,(H,32,35);6-10H,1-5H3,(H,20,21);4-7,10-12H,1-3,8-9H2.
What are the key properties of 3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide?
3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide has a molecular weight of 1131.99 g/mol, XLogP of 12.20, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine;N-[4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-7-yl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-7-yl]acetamide is sourced from PubChem (CID 158379779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).