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Tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate

C24H31FN6O3 — CID 77426081

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate
SMILESCOCn1cc(-c2cc3ncccc3c(NCC3(F)CCCN(C(=O)OC(C)(C)C)C3)n2)cn1
InChIInChI=1S/C24H31FN6O3/c1-23(2,3)34-22(32)30-10-6-8-24(25,15-30)14-27-21-18-7-5-9-26-20(18)11-19(29-21)17-12-28-31(13-17)16-33-4/h5,7,9,11-13H,6,8,10,14-16H2,1-4H3,(H,27,29)
InChIKeyQMHFCSXAAMEEGR-UHFFFAOYSA-N
MW470.55 g/mol
LogP4.25
Rot. Bonds6

About Tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate

Tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate (PubChem CID 77426081) has the molecular formula C24H31FN6O3 and a molecular weight of 470.55 g/mol. Its IUPAC name is tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound NameTert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate
PubChem CID77426081
Molecular FormulaC24H31FN6O3
Molecular Weight470.55 g/mol
Exact Mass470.24
IUPAC Nametert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate
SMILESCOCn1cc(-c2cc3ncccc3c(NCC3(F)CCCN(C(=O)OC(C)(C)C)C3)n2)cn1
InChIInChI=1S/C24H31FN6O3/c1-23(2,3)34-22(32)30-10-6-8-24(25,15-30)14-27-21-18-7-5-9-26-20(18)11-19(29-21)17-12-28-31(13-17)16-33-4/h5,7,9,11-13H,6,8,10,14-16H2,1-4H3,(H,27,29)
InChIKeyQMHFCSXAAMEEGR-UHFFFAOYSA-N
XLogP4.25
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of Tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate (CID 77426081) is tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for Tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for Tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate is COCn1cc(-c2cc3ncccc3c(NCC3(F)CCCN(C(=O)OC(C)(C)C)C3)n2)cn1.
What is the InChIKey of Tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is QMHFCSXAAMEEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O3/c1-23(2,3)34-22(32)30-10-6-8-24(25,15-30)14-27-21-18-7-5-9-26-20(18)11-19(29-21)17-12-28-31(13-17)16-33-4/h5,7,9,11-13H,6,8,10,14-16H2,1-4H3,(H,27,29).
What are the key properties of Tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate?
Tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 470.55 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 3-fluoro-3-[[[7-[1-(methoxymethyl)pyrazol-4-yl]-1,6-naphthyridin-5-yl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 77426081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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