tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine

C134H171Cl2N25O5 — CID 160589148

IUPACtert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine
SMILESCC(C)c1cnc(Cl)c(-c2cccnc2)c1.CC(C)c1cnc(Cl)c(-c2cnn(C)c2)c1.CC(C)c1cncc(-c2ccc(N3CCOCC3)nc2)c1.CC(C)c1cncc(-c2cnn(CCN3CCOCC3)c2)c1.CC(C)c1cncc(C2=CCN(C(=O)OC(C)(C)C)CC2)c1.CC1CCN(c2ccc(-c3ncc(C(C)C)cc3-c3ccc(N4CCN(C)CC4)nc3)cn2)CC1.CCCn1cc(-c2cncc(C(C)C)c2)cn1.COc1cncc(-c2cncc(C(C)C)c2)c1
InChIInChI=1S/C29H38N6.C18H26N2O2.C17H24N4O.C17H21N3O.C14H19N3.C14H16N2O.C13H13ClN2.C12H14ClN3/c1-21(2)25-17-26(23-5-7-28(30-18-23)35-15-13-33(4)14-16-35)29(32-20-25)24-6-8-27(31-19-24)34-11-9-22(3)10-12-34;1-13(2)15-10-16(12-19-11-15)14-6-8-20(9-7-14)17(21)22-18(3,4)5;1-14(2)15-9-16(11-18-10-15)17-12-19-21(13-17)4-3-20-5-7-22-8-6-20;1-13(2)15-9-16(11-18-10-15)14-3-4-17(19-12-14)20-5-7-21-8-6-20;1-4-5-17-10-14(9-16-17)13-6-12(11(2)3)7-15-8-13;1-10(2)11-4-12(7-15-6-11)13-5-14(17-3)9-16-8-13;1-9(2)11-6-12(13(14)16-8-11)10-4-3-5-15-7-10;1-8(2)9-4-11(12(13)14-5-9)10-6-15-16(3)7-10/h5-8,17-22H,9-16H2,1-4H3;6,10-13H,7-9H2,1-5H3;9-14H,3-8H2,1-2H3;3-4,9-13H,5-8H2,1-2H3;6-11H,4-5H2,1-3H3;4-10H,1-3H3;3-9H,1-2H3;4-8H,1-3H3
InChIKeyRCTWGUVFNOUIQI-UHFFFAOYSA-N
MW2282.92 g/mol
LogP28.98
Rot. Bonds26

About tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine

tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine (PubChem CID 160589148) has the molecular formula C134H171Cl2N25O5 and a molecular weight of 2282.92 g/mol. Its IUPAC name is tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Nametert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine
PubChem CID160589148
Molecular FormulaC134H171Cl2N25O5
Molecular Weight2282.92 g/mol
Exact Mass2280.33
IUPAC Nametert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine
SMILESCC(C)c1cnc(Cl)c(-c2cccnc2)c1.CC(C)c1cnc(Cl)c(-c2cnn(C)c2)c1.CC(C)c1cncc(-c2ccc(N3CCOCC3)nc2)c1.CC(C)c1cncc(-c2cnn(CCN3CCOCC3)c2)c1.CC(C)c1cncc(C2=CCN(C(=O)OC(C)(C)C)CC2)c1.CC1CCN(c2ccc(-c3ncc(C(C)C)cc3-c3ccc(N4CCN(C)CC4)nc3)cn2)CC1.CCCn1cc(-c2cncc(C(C)C)c2)cn1.COc1cncc(-c2cncc(C(C)C)c2)c1
InChIInChI=1S/C29H38N6.C18H26N2O2.C17H24N4O.C17H21N3O.C14H19N3.C14H16N2O.C13H13ClN2.C12H14ClN3/c1-21(2)25-17-26(23-5-7-28(30-18-23)35-15-13-33(4)14-16-35)29(32-20-25)24-6-8-27(31-19-24)34-11-9-22(3)10-12-34;1-13(2)15-10-16(12-19-11-15)14-6-8-20(9-7-14)17(21)22-18(3,4)5;1-14(2)15-9-16(11-18-10-15)17-12-19-21(13-17)4-3-20-5-7-22-8-6-20;1-13(2)15-9-16(11-18-10-15)14-3-4-17(19-12-14)20-5-7-21-8-6-20;1-4-5-17-10-14(9-16-17)13-6-12(11(2)3)7-15-8-13;1-10(2)11-4-12(7-15-6-11)13-5-14(17-3)9-16-8-13;1-9(2)11-6-12(13(14)16-8-11)10-4-3-5-15-7-10;1-8(2)9-4-11(12(13)14-5-9)10-6-15-16(3)7-10/h5-8,17-22H,9-16H2,1-4H3;6,10-13H,7-9H2,1-5H3;9-14H,3-8H2,1-2H3;3-4,9-13H,5-8H2,1-2H3;6-11H,4-5H2,1-3H3;4-10H,1-3H3;3-9H,1-2H3;4-8H,1-3H3
InChIKeyRCTWGUVFNOUIQI-UHFFFAOYSA-N
XLogP28.98
TPSA294.46 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms166
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.92
LogP ≤ 528.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine?
The IUPAC name of tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine (CID 160589148) is tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine.
What is the SMILES notation for tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine?
The canonical SMILES for tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine is CC(C)c1cnc(Cl)c(-c2cccnc2)c1.CC(C)c1cnc(Cl)c(-c2cnn(C)c2)c1.CC(C)c1cncc(-c2ccc(N3CCOCC3)nc2)c1.CC(C)c1cncc(-c2cnn(CCN3CCOCC3)c2)c1.CC(C)c1cncc(C2=CCN(C(=O)OC(C)(C)C)CC2)c1.CC1CCN(c2ccc(-c3ncc(C(C)C)cc3-c3ccc(N4CCN(C)CC4)nc3)cn2)CC1.CCCn1cc(-c2cncc(C(C)C)c2)cn1.COc1cncc(-c2cncc(C(C)C)c2)c1.
What is the InChIKey of tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine?
The InChIKey is RCTWGUVFNOUIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6.C18H26N2O2.C17H24N4O.C17H21N3O.C14H19N3.C14H16N2O.C13H13ClN2.C12H14ClN3/c1-21(2)25-17-26(23-5-7-28(30-18-23)35-15-13-33(4)14-16-35)29(32-20-25)24-6-8-27(31-19-24)34-11-9-22(3)10-12-34;1-13(2)15-10-16(12-19-11-15)14-6-8-20(9-7-14)17(21)22-18(3,4)5;1-14(2)15-9-16(11-18-10-15)17-12-19-21(13-17)4-3-20-5-7-22-8-6-20;1-13(2)15-9-16(11-18-10-15)14-3-4-17(19-12-14)20-5-7-21-8-6-20;1-4-5-17-10-14(9-16-17)13-6-12(11(2)3)7-15-8-13;1-10(2)11-4-12(7-15-6-11)13-5-14(17-3)9-16-8-13;1-9(2)11-6-12(13(14)16-8-11)10-4-3-5-15-7-10;1-8(2)9-4-11(12(13)14-5-9)10-6-15-16(3)7-10/h5-8,17-22H,9-16H2,1-4H3;6,10-13H,7-9H2,1-5H3;9-14H,3-8H2,1-2H3;3-4,9-13H,5-8H2,1-2H3;6-11H,4-5H2,1-3H3;4-10H,1-3H3;3-9H,1-2H3;4-8H,1-3H3.
What are the key properties of tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine?
tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine has a molecular weight of 2282.92 g/mol, XLogP of 28.98, 26 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-propan-2-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine;2-chloro-5-propan-2-yl-3-pyridin-3-ylpyridine;3-methoxy-5-(5-propan-2-yl-3-pyridinyl)pyridine;1-methyl-4-[5-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-propan-2-yl-3-pyridinyl]-2-pyridinyl]piperazine;3-propan-2-yl-5-(1-propylpyrazol-4-yl)pyridine;4-[2-[4-(5-propan-2-yl-3-pyridinyl)pyrazol-1-yl]ethyl]morpholine;4-[5-(5-propan-2-yl-3-pyridinyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 160589148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).