tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C94H124Cl2N18O8Si4 — CID 159797037

About tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159797037) has the molecular formula C94H124Cl2N18O8Si4 and a molecular weight of 1817.39 g/mol. Its IUPAC name is tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 159797037
• Molecular Formula: C94H124Cl2N18O8Si4
• Molecular Weight: 1817.39 g/mol
• Exact Mass: 1814.83
• IUPAC Name: tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(C)(C)OC(=O)N1CC=C(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.CC(C)(C)OC(=O)N1CC=C(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Cl)CC1.Nc1c(Cl)c(C2=CCNCC2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C37H53ClN6O4Si2.C37H54N6O4Si2.C20H17ClN6/c1-37(2,3)48-36(45)42-16-14-27(15-17-42)33-32(38)35(43(25-46-18-20-49(4,5)6)26-47-19-21-50(7,8)9)44-34(41-33)30(24-40-44)29-22-28-12-10-11-13-31(28)39-23-29;1-37(2,3)47-36(44)41-16-14-28(15-17-41)33-23-34(42(26-45-18-20-48(4,5)6)27-46-19-21-49(7,8)9)43-35(40-33)31(25-39-43)30-22-29-12-10-11-13-32(29)38-24-30;21-17-18(12-5-7-23-8-6-12)26-20-15(11-25-27(20)19(17)22)14-9-13-3-1-2-4-16(13)24-10-14/h10-14,22-24H,15-21,25-26H2,1-9H3;10-14,22-25H,15-21,26-27H2,1-9H3;1-5,9-11,23H,6-8,22H2
• InChIKey: NJHOPQFVTFLXGF-UHFFFAOYSA-N
• XLogP: 21.01
• TPSA: 269.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1817.39
LogP ≤ 5	21.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159797037) is tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)OC(=O)N1CC=C(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.CC(C)(C)OC(=O)N1CC=C(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Cl)CC1.Nc1c(Cl)c(C2=CCNCC2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is NJHOPQFVTFLXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H53ClN6O4Si2.C37H54N6O4Si2.C20H17ClN6/c1-37(2,3)48-36(45)42-16-14-27(15-17-42)33-32(38)35(43(25-46-18-20-49(4,5)6)26-47-19-21-50(7,8)9)44-34(41-33)30(24-40-44)29-22-28-12-10-11-13-31(28)39-23-29;1-37(2,3)47-36(44)41-16-14-28(15-17-41)33-23-34(42(26-45-18-20-48(4,5)6)27-46-19-21-49(7,8)9)43-35(40-33)31(25-39-43)30-22-29-12-10-11-13-32(29)38-24-30;21-17-18(12-5-7-23-8-6-12)26-20-15(11-25-27(20)19(17)22)14-9-13-3-1-2-4-16(13)24-10-14/h10-14,22-24H,15-21,25-26H2,1-9H3;10-14,22-25H,15-21,26-27H2,1-9H3;1-5,9-11,23H,6-8,22H2.

What are the key properties of tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1817.39 g/mol, XLogP of 21.01, 28 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-3-quinolin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159797037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).