2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline

C125H143F19N12O8 — CID 157371072

IUPAC2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline
SMILESCC(C)(C)C(F)(F)OCc1cc(-c2ccc(C3CC3)nc2)ccn1.CC(C)(C)C(F)(F)OCc1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)C(F)(F)OCc1ccc(-n2cccn2)nc1.CC(C)(C)C(F)(F)OCc1ccc2nccnc2c1.CC(C)(C)C(F)(F)OCc1cccc2ncccc12.CC(C)(C)C(F)(F)OCc1ccnc2ccccc12.CC(OC(F)(F)C(C)(C)C)c1cnc2ccccc2c1.Cc1cc(COC(F)(F)C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C19H22F2N2O.C16H16F5NO.2C16H19F2NO.2C15H17F2NO.C14H17F2N3O.C14H16F2N2O/c1-18(2,3)19(20,21)24-12-16-10-14(8-9-22-16)15-6-7-17(23-11-15)13-4-5-13;1-14(2,3)16(20,21)23-9-10-8-13(15(17,18)19)22-12-7-5-4-6-11(10)12;1-11(20-16(17,18)15(2,3)4)13-9-12-7-5-6-8-14(12)19-10-13;1-11-9-12(10-20-16(17,18)15(2,3)4)13-7-5-6-8-14(13)19-11;1-14(2,3)15(16,17)19-10-11-6-4-8-13-12(11)7-5-9-18-13;1-14(2,3)15(16,17)19-10-11-8-9-18-13-7-5-4-6-12(11)13;1-13(2,3)14(15,16)20-10-11-5-6-12(17-9-11)19-8-4-7-18-19;1-13(2,3)14(15,16)19-9-10-4-5-11-12(8-10)18-7-6-17-11/h6-11,13H,4-5,12H2,1-3H3;4-8H,9H2,1-3H3;5-11H,1-4H3;5-9H,10H2,1-4H3;2*4-9H,10H2,1-3H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3
InChIKeyBJTQGHRFHZEIPY-UHFFFAOYSA-N
MW2302.56 g/mol
LogP36.22
Rot. Bonds27

About 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline

2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline (PubChem CID 157371072) has the molecular formula C125H143F19N12O8 and a molecular weight of 2302.56 g/mol. Its IUPAC name is 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline
PubChem CID157371072
Molecular FormulaC125H143F19N12O8
Molecular Weight2302.56 g/mol
Exact Mass2301.08
IUPAC Name2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline
SMILESCC(C)(C)C(F)(F)OCc1cc(-c2ccc(C3CC3)nc2)ccn1.CC(C)(C)C(F)(F)OCc1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)C(F)(F)OCc1ccc(-n2cccn2)nc1.CC(C)(C)C(F)(F)OCc1ccc2nccnc2c1.CC(C)(C)C(F)(F)OCc1cccc2ncccc12.CC(C)(C)C(F)(F)OCc1ccnc2ccccc12.CC(OC(F)(F)C(C)(C)C)c1cnc2ccccc2c1.Cc1cc(COC(F)(F)C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C19H22F2N2O.C16H16F5NO.2C16H19F2NO.2C15H17F2NO.C14H17F2N3O.C14H16F2N2O/c1-18(2,3)19(20,21)24-12-16-10-14(8-9-22-16)15-6-7-17(23-11-15)13-4-5-13;1-14(2,3)16(20,21)23-9-10-8-13(15(17,18)19)22-12-7-5-4-6-11(10)12;1-11(20-16(17,18)15(2,3)4)13-9-12-7-5-6-8-14(12)19-10-13;1-11-9-12(10-20-16(17,18)15(2,3)4)13-7-5-6-8-14(13)19-11;1-14(2,3)15(16,17)19-10-11-6-4-8-13-12(11)7-5-9-18-13;1-14(2,3)15(16,17)19-10-11-8-9-18-13-7-5-4-6-12(11)13;1-13(2,3)14(15,16)20-10-11-5-6-12(17-9-11)19-8-4-7-18-19;1-13(2,3)14(15,16)19-9-10-4-5-11-12(8-10)18-7-6-17-11/h6-11,13H,4-5,12H2,1-3H3;4-8H,9H2,1-3H3;5-11H,1-4H3;5-9H,10H2,1-4H3;2*4-9H,10H2,1-3H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3
InChIKeyBJTQGHRFHZEIPY-UHFFFAOYSA-N
XLogP36.22
TPSA220.56 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002302.56
LogP ≤ 536.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline?
The IUPAC name of 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline (CID 157371072) is 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline?
The canonical SMILES for 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline is CC(C)(C)C(F)(F)OCc1cc(-c2ccc(C3CC3)nc2)ccn1.CC(C)(C)C(F)(F)OCc1cc(C(F)(F)F)nc2ccccc12.CC(C)(C)C(F)(F)OCc1ccc(-n2cccn2)nc1.CC(C)(C)C(F)(F)OCc1ccc2nccnc2c1.CC(C)(C)C(F)(F)OCc1cccc2ncccc12.CC(C)(C)C(F)(F)OCc1ccnc2ccccc12.CC(OC(F)(F)C(C)(C)C)c1cnc2ccccc2c1.Cc1cc(COC(F)(F)C(C)(C)C)c2ccccc2n1.
What is the InChIKey of 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline?
The InChIKey is BJTQGHRFHZEIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O.C16H16F5NO.2C16H19F2NO.2C15H17F2NO.C14H17F2N3O.C14H16F2N2O/c1-18(2,3)19(20,21)24-12-16-10-14(8-9-22-16)15-6-7-17(23-11-15)13-4-5-13;1-14(2,3)16(20,21)23-9-10-8-13(15(17,18)19)22-12-7-5-4-6-11(10)12;1-11(20-16(17,18)15(2,3)4)13-9-12-7-5-6-8-14(12)19-10-13;1-11-9-12(10-20-16(17,18)15(2,3)4)13-7-5-6-8-14(13)19-11;1-14(2,3)15(16,17)19-10-11-6-4-8-13-12(11)7-5-9-18-13;1-14(2,3)15(16,17)19-10-11-8-9-18-13-7-5-4-6-12(11)13;1-13(2,3)14(15,16)20-10-11-5-6-12(17-9-11)19-8-4-7-18-19;1-13(2,3)14(15,16)19-9-10-4-5-11-12(8-10)18-7-6-17-11/h6-11,13H,4-5,12H2,1-3H3;4-8H,9H2,1-3H3;5-11H,1-4H3;5-9H,10H2,1-4H3;2*4-9H,10H2,1-3H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3.
What are the key properties of 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline?
2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline has a molecular weight of 2302.56 g/mol, XLogP of 36.22, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-4-pyridinyl]pyridine;3-[1-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-methylquinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;6-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoxaline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 157371072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).