6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate

C69H74ClN15O6 — CID 159564950

IUPAC6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate
SMILESC=CCCCC(=O)OC.CN(C)c1cc(Cl)nc2c(-c3cnc4ccccc4c3)cnn12.COC(=O)CCCCCc1cc(N(C)C)n2ncc(-c3cnc4ccccc4c3)c2n1.Nc1cc(CCCCCC(=O)O)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H27N5O2.C21H21N5O2.C17H14ClN5.C7H12O2/c1-28(2)22-14-19(10-5-4-6-12-23(30)31-3)27-24-20(16-26-29(22)24)18-13-17-9-7-8-11-21(17)25-15-18;22-19-11-16(7-2-1-3-9-20(27)28)25-21-17(13-24-26(19)21)15-10-14-6-4-5-8-18(14)23-12-15;1-22(2)16-8-15(18)21-17-13(10-20-23(16)17)12-7-11-5-3-4-6-14(11)19-9-12;1-3-4-5-6-7(8)9-2/h7-9,11,13-16H,4-6,10,12H2,1-3H3;4-6,8,10-13H,1-3,7,9,22H2,(H,27,28);3-10H,1-2H3;3H,1,4-6H2,2H3
InChIKeyMHBSCNOZIDKFQL-UHFFFAOYSA-N
MW1244.90 g/mol
LogP13.18
Rot. Bonds21

About 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate

6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate (PubChem CID 159564950) has the molecular formula C69H74ClN15O6 and a molecular weight of 1244.90 g/mol. Its IUPAC name is 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate.

Molecular Properties

Compound Name6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate
PubChem CID159564950
Molecular FormulaC69H74ClN15O6
Molecular Weight1244.90 g/mol
Exact Mass1243.56
IUPAC Name6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate
SMILESC=CCCCC(=O)OC.CN(C)c1cc(Cl)nc2c(-c3cnc4ccccc4c3)cnn12.COC(=O)CCCCCc1cc(N(C)C)n2ncc(-c3cnc4ccccc4c3)c2n1.Nc1cc(CCCCCC(=O)O)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H27N5O2.C21H21N5O2.C17H14ClN5.C7H12O2/c1-28(2)22-14-19(10-5-4-6-12-23(30)31-3)27-24-20(16-26-29(22)24)18-13-17-9-7-8-11-21(17)25-15-18;22-19-11-16(7-2-1-3-9-20(27)28)25-21-17(13-24-26(19)21)15-10-14-6-4-5-8-18(14)23-12-15;1-22(2)16-8-15(18)21-17-13(10-20-23(16)17)12-7-11-5-3-4-6-14(11)19-9-12;1-3-4-5-6-7(8)9-2/h7-9,11,13-16H,4-6,10,12H2,1-3H3;4-6,8,10-13H,1-3,7,9,22H2,(H,27,28);3-10H,1-2H3;3H,1,4-6H2,2H3
InChIKeyMHBSCNOZIDKFQL-UHFFFAOYSA-N
XLogP13.18
TPSA251.64 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001244.90
LogP ≤ 513.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate 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

2-[4-[7-Amino-6-(4-fluorophenyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid
CID 70215296
2-[3-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;2-[3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;ethyl 2-[3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;2,2,2-trifluoroacetaldehyde
CID 158696012
2-[(3-Aminophenyl)methyl]-1-[[4-(4-methyl-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl)phenyl]methyl]piperidine-4-carboxylic acid
CID 46941034
6-(7-Amino-3-(quinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid
CID 46944746
Methyl 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoate
CID 58173330
5-[7-Amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid
CID 58173443
4-(7-Amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid
CID 58173478
[4-(7-Amino-3-quinolin-3-yl-pyrazolo[1,5-a]pyrimidin-5-yl)-phenyl]-acetic acid
CID 66738932
Methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate
CID 68074564
2-[4-[7-Amino-6-(1-methylpyrazol-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid
CID 70216140
[4-(7-Amino-6-pyridin-4-yl-3-quinolin-3-yl-pyrazolo[1,5-a]pyrimidin-5-yl)-cyclohexyl]-acetic acid
CID 70216820
2-[4-(7-Amino-6-phenyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
CID 70217008

Frequently Asked Questions

What is the IUPAC name of 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate?
The IUPAC name of 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate (CID 159564950) is 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate.
What is the SMILES notation for 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate?
The canonical SMILES for 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate is C=CCCCC(=O)OC.CN(C)c1cc(Cl)nc2c(-c3cnc4ccccc4c3)cnn12.COC(=O)CCCCCc1cc(N(C)C)n2ncc(-c3cnc4ccccc4c3)c2n1.Nc1cc(CCCCCC(=O)O)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate?
The InChIKey is MHBSCNOZIDKFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2.C21H21N5O2.C17H14ClN5.C7H12O2/c1-28(2)22-14-19(10-5-4-6-12-23(30)31-3)27-24-20(16-26-29(22)24)18-13-17-9-7-8-11-21(17)25-15-18;22-19-11-16(7-2-1-3-9-20(27)28)25-21-17(13-24-26(19)21)15-10-14-6-4-5-8-18(14)23-12-15;1-22(2)16-8-15(18)21-17-13(10-20-23(16)17)12-7-11-5-3-4-6-14(11)19-9-12;1-3-4-5-6-7(8)9-2/h7-9,11,13-16H,4-6,10,12H2,1-3H3;4-6,8,10-13H,1-3,7,9,22H2,(H,27,28);3-10H,1-2H3;3H,1,4-6H2,2H3.
What are the key properties of 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate?
6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate has a molecular weight of 1244.90 g/mol, XLogP of 13.18, 21 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-N,N-dimethyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-(dimethylamino)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate is sourced from PubChem (CID 159564950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).