5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid

C105H99ClN30O10 — CID 159108652

IUPAC5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
SMILESNc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc4ncccc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cccc4cccnc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cccc4ncccc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4cc(Cl)ccc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4ccccc34)cnn12
InChIInChI=1S/C21H19ClN6O2.4C21H20N6O2/c22-12-2-3-14-13(5-6-24-18(14)7-12)15-10-26-28-19(23)8-17(27-20(15)28)11-1-4-16(21(29)30)25-9-11;22-19-9-18(12-6-7-17(21(28)29)24-10-12)26-20-15(11-25-27(19)20)13-3-1-5-16-14(13)4-2-8-23-16;22-18-9-17(13-6-7-16(21(28)29)24-10-13)26-20-15(11-25-27(18)20)14-5-1-3-12-4-2-8-23-19(12)14;22-19-9-18(14-4-6-17(21(28)29)24-10-14)26-20-15(11-25-27(19)20)12-3-5-16-13(8-12)2-1-7-23-16;22-19-9-18(12-5-6-17(21(28)29)24-10-12)26-20-15(11-25-27(19)20)13-7-8-23-16-4-2-1-3-14(13)16/h2-3,5-8,10-11,16,25H,1,4,9,23H2,(H,29,30);1-5,8-9,11-12,17,24H,6-7,10,22H2,(H,28,29);1-5,8-9,11,13,16,24H,6-7,10,22H2,(H,28,29);1-3,5,7-9,11,14,17,24H,4,6,10,22H2,(H,28,29);1-4,7-9,11-12,17,24H,5-6,10,22H2,(H,28,29)
InChIKeyKEEZSLDJKGHQGR-UHFFFAOYSA-N
MW1976.60 g/mol
LogP12.89
Rot. Bonds15

About 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid

5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid (PubChem CID 159108652) has the molecular formula C105H99ClN30O10 and a molecular weight of 1976.60 g/mol. Its IUPAC name is 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
PubChem CID159108652
Molecular FormulaC105H99ClN30O10
Molecular Weight1976.60 g/mol
Exact Mass1974.78
IUPAC Name5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid
SMILESNc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc4ncccc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cccc4cccnc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cccc4ncccc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4cc(Cl)ccc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4ccccc34)cnn12
InChIInChI=1S/C21H19ClN6O2.4C21H20N6O2/c22-12-2-3-14-13(5-6-24-18(14)7-12)15-10-26-28-19(23)8-17(27-20(15)28)11-1-4-16(21(29)30)25-9-11;22-19-9-18(12-6-7-17(21(28)29)24-10-12)26-20-15(11-25-27(19)20)13-3-1-5-16-14(13)4-2-8-23-16;22-18-9-17(13-6-7-16(21(28)29)24-10-13)26-20-15(11-25-27(18)20)14-5-1-3-12-4-2-8-23-19(12)14;22-19-9-18(14-4-6-17(21(28)29)24-10-14)26-20-15(11-25-27(19)20)12-3-5-16-13(8-12)2-1-7-23-16;22-19-9-18(12-5-6-17(21(28)29)24-10-12)26-20-15(11-25-27(19)20)13-7-8-23-16-4-2-1-3-14(13)16/h2-3,5-8,10-11,16,25H,1,4,9,23H2,(H,29,30);1-5,8-9,11-12,17,24H,6-7,10,22H2,(H,28,29);1-5,8-9,11,13,16,24H,6-7,10,22H2,(H,28,29);1-3,5,7-9,11,14,17,24H,4,6,10,22H2,(H,28,29);1-4,7-9,11-12,17,24H,5-6,10,22H2,(H,28,29)
InChIKeyKEEZSLDJKGHQGR-UHFFFAOYSA-N
XLogP12.89
TPSA592.15 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds15
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001976.60
LogP ≤ 512.89
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid?
The IUPAC name of 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid (CID 159108652) is 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid is Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccc4ncccc4c3)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cccc4cccnc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3cccc4ncccc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4cc(Cl)ccc34)cnn12.Nc1cc(C2CCC(C(=O)O)NC2)nc2c(-c3ccnc4ccccc34)cnn12.
What is the InChIKey of 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid?
The InChIKey is KEEZSLDJKGHQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2.4C21H20N6O2/c22-12-2-3-14-13(5-6-24-18(14)7-12)15-10-26-28-19(23)8-17(27-20(15)28)11-1-4-16(21(29)30)25-9-11;22-19-9-18(12-6-7-17(21(28)29)24-10-12)26-20-15(11-25-27(19)20)13-3-1-5-16-14(13)4-2-8-23-16;22-18-9-17(13-6-7-16(21(28)29)24-10-13)26-20-15(11-25-27(18)20)14-5-1-3-12-4-2-8-23-19(12)14;22-19-9-18(14-4-6-17(21(28)29)24-10-14)26-20-15(11-25-27(19)20)12-3-5-16-13(8-12)2-1-7-23-16;22-19-9-18(12-5-6-17(21(28)29)24-10-12)26-20-15(11-25-27(19)20)13-7-8-23-16-4-2-1-3-14(13)16/h2-3,5-8,10-11,16,25H,1,4,9,23H2,(H,29,30);1-5,8-9,11-12,17,24H,6-7,10,22H2,(H,28,29);1-5,8-9,11,13,16,24H,6-7,10,22H2,(H,28,29);1-3,5,7-9,11,14,17,24H,4,6,10,22H2,(H,28,29);1-4,7-9,11-12,17,24H,5-6,10,22H2,(H,28,29).
What are the key properties of 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid?
5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid has a molecular weight of 1976.60 g/mol, XLogP of 12.89, 15 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-amino-3-(7-chloroquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-(7-amino-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 159108652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).