4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline

C136H169Cl2F2N21O — CID 158335958

IUPAC4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CCCc2cc(-c3ccc(=O)n(C)c3)ccc21.CC(C)N1CCCc2cc(-c3ccccn3)ccc21.CC(C)N1CCCc2cc(-c3ccn(C)n3)ccc21.CC(C)N1CCCc2cc(-c3cn(C)nc3C(F)F)ccc21.CC(C)N1CCCc2cc(-c3cnn(C)c3)c(Cl)cc21.CC(C)N1CCCc2cc(-c3cnn4c3CCCC4)ccc21.CC(C)N1CCc2c(Cl)cc(-c3cnn(C)c3)cc21.Cc1ccc(-c2ccc3c(c2)CCCN3C(C)C)cn1
InChIInChI=1S/C19H25N3.C18H22N2O.C18H22N2.C17H21F2N3.C17H20N2.C16H20ClN3.C16H21N3.C15H18ClN3/c1-14(2)21-10-5-6-16-12-15(8-9-18(16)21)17-13-20-22-11-4-3-7-19(17)22;1-13(2)20-10-4-5-15-11-14(6-8-17(15)20)16-7-9-18(21)19(3)12-16;1-13(2)20-10-4-5-16-11-15(8-9-18(16)20)17-7-6-14(3)19-12-17;1-11(2)22-8-4-5-13-9-12(6-7-15(13)22)14-10-21(3)20-16(14)17(18)19;1-13(2)19-11-5-6-15-12-14(8-9-17(15)19)16-7-3-4-10-18-16;1-11(2)20-6-4-5-12-7-14(15(17)8-16(12)20)13-9-18-19(3)10-13;1-12(2)19-9-4-5-14-11-13(6-7-16(14)19)15-8-10-18(3)17-15;1-10(2)19-5-4-13-14(16)6-11(7-15(13)19)12-8-17-18(3)9-12/h8-9,12-14H,3-7,10-11H2,1-2H3;6-9,11-13H,4-5,10H2,1-3H3;6-9,11-13H,4-5,10H2,1-3H3;6-7,9-11,17H,4-5,8H2,1-3H3;3-4,7-10,12-13H,5-6,11H2,1-2H3;7-11H,4-6H2,1-3H3;6-8,10-12H,4-5,9H2,1-3H3;6-10H,4-5H2,1-3H3
InChIKeyGQOSFODFYMZSSN-UHFFFAOYSA-N
MW2222.90 g/mol
LogP30.24
Rot. Bonds17

About 4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline

4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline (PubChem CID 158335958) has the molecular formula C136H169Cl2F2N21O and a molecular weight of 2222.90 g/mol. Its IUPAC name is 4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline
PubChem CID158335958
Molecular FormulaC136H169Cl2F2N21O
Molecular Weight2222.90 g/mol
Exact Mass2220.32
IUPAC Name4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CCCc2cc(-c3ccc(=O)n(C)c3)ccc21.CC(C)N1CCCc2cc(-c3ccccn3)ccc21.CC(C)N1CCCc2cc(-c3ccn(C)n3)ccc21.CC(C)N1CCCc2cc(-c3cn(C)nc3C(F)F)ccc21.CC(C)N1CCCc2cc(-c3cnn(C)c3)c(Cl)cc21.CC(C)N1CCCc2cc(-c3cnn4c3CCCC4)ccc21.CC(C)N1CCc2c(Cl)cc(-c3cnn(C)c3)cc21.Cc1ccc(-c2ccc3c(c2)CCCN3C(C)C)cn1
InChIInChI=1S/C19H25N3.C18H22N2O.C18H22N2.C17H21F2N3.C17H20N2.C16H20ClN3.C16H21N3.C15H18ClN3/c1-14(2)21-10-5-6-16-12-15(8-9-18(16)21)17-13-20-22-11-4-3-7-19(17)22;1-13(2)20-10-4-5-15-11-14(6-8-17(15)20)16-7-9-18(21)19(3)12-16;1-13(2)20-10-4-5-16-11-15(8-9-18(16)20)17-7-6-14(3)19-12-17;1-11(2)22-8-4-5-13-9-12(6-7-15(13)22)14-10-21(3)20-16(14)17(18)19;1-13(2)19-11-5-6-15-12-14(8-9-17(15)19)16-7-3-4-10-18-16;1-11(2)20-6-4-5-12-7-14(15(17)8-16(12)20)13-9-18-19(3)10-13;1-12(2)19-9-4-5-14-11-13(6-7-16(14)19)15-8-10-18(3)17-15;1-10(2)19-5-4-13-14(16)6-11(7-15(13)19)12-8-17-18(3)9-12/h8-9,12-14H,3-7,10-11H2,1-2H3;6-9,11-13H,4-5,10H2,1-3H3;6-9,11-13H,4-5,10H2,1-3H3;6-7,9-11,17H,4-5,8H2,1-3H3;3-4,7-10,12-13H,5-6,11H2,1-2H3;7-11H,4-6H2,1-3H3;6-8,10-12H,4-5,9H2,1-3H3;6-10H,4-5H2,1-3H3
InChIKeyGQOSFODFYMZSSN-UHFFFAOYSA-N
XLogP30.24
TPSA162.80 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002222.90
LogP ≤ 530.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline (CID 158335958) is 4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline is CC(C)N1CCCc2cc(-c3ccc(=O)n(C)c3)ccc21.CC(C)N1CCCc2cc(-c3ccccn3)ccc21.CC(C)N1CCCc2cc(-c3ccn(C)n3)ccc21.CC(C)N1CCCc2cc(-c3cn(C)nc3C(F)F)ccc21.CC(C)N1CCCc2cc(-c3cnn(C)c3)c(Cl)cc21.CC(C)N1CCCc2cc(-c3cnn4c3CCCC4)ccc21.CC(C)N1CCc2c(Cl)cc(-c3cnn(C)c3)cc21.Cc1ccc(-c2ccc3c(c2)CCCN3C(C)C)cn1.
What is the InChIKey of 4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is GQOSFODFYMZSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3.C18H22N2O.C18H22N2.C17H21F2N3.C17H20N2.C16H20ClN3.C16H21N3.C15H18ClN3/c1-14(2)21-10-5-6-16-12-15(8-9-18(16)21)17-13-20-22-11-4-3-7-19(17)22;1-13(2)20-10-4-5-15-11-14(6-8-17(15)20)16-7-9-18(21)19(3)12-16;1-13(2)20-10-4-5-16-11-15(8-9-18(16)20)17-7-6-14(3)19-12-17;1-11(2)22-8-4-5-13-9-12(6-7-15(13)22)14-10-21(3)20-16(14)17(18)19;1-13(2)19-11-5-6-15-12-14(8-9-17(15)19)16-7-3-4-10-18-16;1-11(2)20-6-4-5-12-7-14(15(17)8-16(12)20)13-9-18-19(3)10-13;1-12(2)19-9-4-5-14-11-13(6-7-16(14)19)15-8-10-18(3)17-15;1-10(2)19-5-4-13-14(16)6-11(7-15(13)19)12-8-17-18(3)9-12/h8-9,12-14H,3-7,10-11H2,1-2H3;6-9,11-13H,4-5,10H2,1-3H3;6-9,11-13H,4-5,10H2,1-3H3;6-7,9-11,17H,4-5,8H2,1-3H3;3-4,7-10,12-13H,5-6,11H2,1-2H3;7-11H,4-6H2,1-3H3;6-8,10-12H,4-5,9H2,1-3H3;6-10H,4-5H2,1-3H3.
What are the key properties of 4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline?
4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 2222.90 g/mol, XLogP of 30.24, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindole;7-chloro-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-methyl-5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pyridin-2-one;6-(1-methylpyrazol-3-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;6-(6-methyl-3-pyridinyl)-1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-pyridin-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 158335958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).