tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate

C31H32F2N4O2 — CID 67270934

IUPACtert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate
SMILESCc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)cc(NC3CCN(C(=O)OC(C)(C)C)CC3)nc12
InChIInChI=1S/C31H32F2N4O2/c1-19-7-5-6-8-22(19)28-29-24(11-14-34-28)25(23-10-9-20(32)17-26(23)33)18-27(36-29)35-21-12-15-37(16-13-21)30(38)39-31(2,3)4/h5-11,14,17-18,21H,12-13,15-16H2,1-4H3,(H,35,36)
InChIKeyFBYCAYHOPMXHRV-UHFFFAOYSA-N
MW530.62 g/mol
LogP7.36
Rot. Bonds4

About tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate

tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 67270934) has the molecular formula C31H32F2N4O2 and a molecular weight of 530.62 g/mol. Its IUPAC name is tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate
PubChem CID67270934
Molecular FormulaC31H32F2N4O2
Molecular Weight530.62 g/mol
Exact Mass530.25
IUPAC Nametert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate
SMILESCc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)cc(NC3CCN(C(=O)OC(C)(C)C)CC3)nc12
InChIInChI=1S/C31H32F2N4O2/c1-19-7-5-6-8-22(19)28-29-24(11-14-34-28)25(23-10-9-20(32)17-26(23)33)18-27(36-29)35-21-12-15-37(16-13-21)30(38)39-31(2,3)4/h5-11,14,17-18,21H,12-13,15-16H2,1-4H3,(H,35,36)
InChIKeyFBYCAYHOPMXHRV-UHFFFAOYSA-N
XLogP7.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate (CID 67270934) is tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate is Cc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)cc(NC3CCN(C(=O)OC(C)(C)C)CC3)nc12.
What is the InChIKey of tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is FBYCAYHOPMXHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N4O2/c1-19-7-5-6-8-22(19)28-29-24(11-14-34-28)25(23-10-9-20(32)17-26(23)33)18-27(36-29)35-21-12-15-37(16-13-21)30(38)39-31(2,3)4/h5-11,14,17-18,21H,12-13,15-16H2,1-4H3,(H,35,36).
What are the key properties of tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 530.62 g/mol, XLogP of 7.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(2,4-difluorophenyl)-8-(2-methylphenyl)-1,7-naphthyridin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 67270934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).