tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine

C67H114BClF5N11O7SSi — CID 158463516

IUPACtert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine
SMILESCC(C)(C)[Si](C)(C)OCCCN1CCC(F)CC1.CC1(C)OB(c2cnn(CCCN3CCC(F)CC3)c2)OC1(C)C.CS(=O)(=O)OCCCN1CCC(F)CC1.FC1CCN(CCCn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1.OCCCN1CCC(F)CC1
InChIInChI=1S/C19H21ClFN5.C17H29BFN3O2.C14H30FNOSi.C9H18FNO3S.C8H16FNO/c20-19-3-2-17-18(24-19)10-14(11-22-17)15-12-23-26(13-15)7-1-6-25-8-4-16(21)5-9-25;1-16(2)17(3,4)24-18(23-16)14-12-20-22(13-14)9-5-8-21-10-6-15(19)7-11-21;1-14(2,3)18(4,5)17-12-6-9-16-10-7-13(15)8-11-16;1-15(12,13)14-8-2-5-11-6-3-9(10)4-7-11;9-8-2-5-10(6-3-8)4-1-7-11/h2-3,10-13,16H,1,4-9H2;12-13,15H,5-11H2,1-4H3;13H,6-12H2,1-5H3;9H,2-8H2,1H3;8,11H,1-7H2
InChIKeyHFLWTVOMLBLZHJ-UHFFFAOYSA-N
MW1387.13 g/mol
LogP11.40
Rot. Bonds23

About tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine

tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine (PubChem CID 158463516) has the molecular formula C67H114BClF5N11O7SSi and a molecular weight of 1387.13 g/mol. Its IUPAC name is tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine.

Molecular Properties

Compound Nametert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine
PubChem CID158463516
Molecular FormulaC67H114BClF5N11O7SSi
Molecular Weight1387.13 g/mol
Exact Mass1385.81
IUPAC Nametert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine
SMILESCC(C)(C)[Si](C)(C)OCCCN1CCC(F)CC1.CC1(C)OB(c2cnn(CCCN3CCC(F)CC3)c2)OC1(C)C.CS(=O)(=O)OCCCN1CCC(F)CC1.FC1CCN(CCCn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1.OCCCN1CCC(F)CC1
InChIInChI=1S/C19H21ClFN5.C17H29BFN3O2.C14H30FNOSi.C9H18FNO3S.C8H16FNO/c20-19-3-2-17-18(24-19)10-14(11-22-17)15-12-23-26(13-15)7-1-6-25-8-4-16(21)5-9-25;1-16(2)17(3,4)24-18(23-16)14-12-20-22(13-14)9-5-8-21-10-6-15(19)7-11-21;1-14(2,3)18(4,5)17-12-6-9-16-10-7-13(15)8-11-16;1-15(12,13)14-8-2-5-11-6-3-9(10)4-7-11;9-8-2-5-10(6-3-8)4-1-7-11/h2-3,10-13,16H,1,4-9H2;12-13,15H,5-11H2,1-4H3;13H,6-12H2,1-5H3;9H,2-8H2,1H3;8,11H,1-7H2
InChIKeyHFLWTVOMLBLZHJ-UHFFFAOYSA-N
XLogP11.40
TPSA168.91 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001387.13
LogP ≤ 511.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine with MolForge

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Related Compounds

[6-[[4-(6-Chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]methyl]-2-pyridinyl]methanol;[6-(hydroxymethyl)-2-pyridinyl]methyl methanesulfonate;[6-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]-2-pyridinyl]methanol
CID 157704435
2-Chloro-7-[1-[(6-methyl-2-pyridinyl)methyl]pyrazol-4-yl]-1,5-naphthyridine;(6-methyl-2-pyridinyl)methyl methanesulfonate;2-methyl-6-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyridine
CID 158405161
2-Chloro-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,5-naphthyridine;oxan-4-ol;oxan-4-yl methanesulfonate;1-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158759729
4-[3-[4-(6-Chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]-3-methylmorpholine;3-methyl-4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]morpholine
CID 160819198

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine?
The IUPAC name of tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine (CID 158463516) is tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine.
What is the SMILES notation for tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine?
The canonical SMILES for tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine is CC(C)(C)[Si](C)(C)OCCCN1CCC(F)CC1.CC1(C)OB(c2cnn(CCCN3CCC(F)CC3)c2)OC1(C)C.CS(=O)(=O)OCCCN1CCC(F)CC1.FC1CCN(CCCn2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1.OCCCN1CCC(F)CC1.
What is the InChIKey of tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine?
The InChIKey is HFLWTVOMLBLZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5.C17H29BFN3O2.C14H30FNOSi.C9H18FNO3S.C8H16FNO/c20-19-3-2-17-18(24-19)10-14(11-22-17)15-12-23-26(13-15)7-1-6-25-8-4-16(21)5-9-25;1-16(2)17(3,4)24-18(23-16)14-12-20-22(13-14)9-5-8-21-10-6-15(19)7-11-21;1-14(2,3)18(4,5)17-12-6-9-16-10-7-13(15)8-11-16;1-15(12,13)14-8-2-5-11-6-3-9(10)4-7-11;9-8-2-5-10(6-3-8)4-1-7-11/h2-3,10-13,16H,1,4-9H2;12-13,15H,5-11H2,1-4H3;13H,6-12H2,1-5H3;9H,2-8H2,1H3;8,11H,1-7H2.
What are the key properties of tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine?
tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine has a molecular weight of 1387.13 g/mol, XLogP of 11.40, 23 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(4-fluoropiperidin-1-yl)propoxy]-dimethylsilane;2-chloro-7-[1-[3-(4-fluoropiperidin-1-yl)propyl]pyrazol-4-yl]-1,5-naphthyridine;3-(4-fluoropiperidin-1-yl)propan-1-ol;3-(4-fluoropiperidin-1-yl)propyl methanesulfonate;4-fluoro-1-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propyl]piperidine is sourced from PubChem (CID 158463516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).