tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate

C24H35N5O5S — CID 178017091

IUPACtert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nccc3cnc(N[C@@H]4CCN(S(C)(=O)=O)C[C@H]4O)cc23)CC1
InChIInChI=1S/C24H35N5O5S/c1-24(2,3)34-23(31)28-10-6-16(7-11-28)22-18-13-21(26-14-17(18)5-9-25-22)27-19-8-12-29(15-20(19)30)35(4,32)33/h5,9,13-14,16,19-20,30H,6-8,10-12,15H2,1-4H3,(H,26,27)/t19-,20-/m1/s1
InChIKeyQRNIUGLTDWYXCC-WOJBJXKFSA-N
MW505.64 g/mol
LogP2.55
Rot. Bonds4

About tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate (PubChem CID 178017091) has the molecular formula C24H35N5O5S and a molecular weight of 505.64 g/mol. Its IUPAC name is tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate
PubChem CID178017091
Molecular FormulaC24H35N5O5S
Molecular Weight505.64 g/mol
Exact Mass505.24
IUPAC Nametert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nccc3cnc(N[C@@H]4CCN(S(C)(=O)=O)C[C@H]4O)cc23)CC1
InChIInChI=1S/C24H35N5O5S/c1-24(2,3)34-23(31)28-10-6-16(7-11-28)22-18-13-21(26-14-17(18)5-9-25-22)27-19-8-12-29(15-20(19)30)35(4,32)33/h5,9,13-14,16,19-20,30H,6-8,10-12,15H2,1-4H3,(H,26,27)/t19-,20-/m1/s1
InChIKeyQRNIUGLTDWYXCC-WOJBJXKFSA-N
XLogP2.55
TPSA124.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]azepane-1-carboxylate
CID 178016979
(3R,4R)-4-[[5-[(1S,3S)-3-aminocyclopentyl]-2,6-naphthyridin-3-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 178017023
tert-butyl 4-[4-(methylsulfonyloxymethyl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 58533472
tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate
CID 168797881
tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
CID 58547634
tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
CID 162748495
tert-butyl 3-[[5-(3,5-difluorophenyl)-2-pyridinyl]carbamoyl-methylamino]pyrrolidine-1-carboxylate;3-[5-(3,5-difluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)urea
CID 159649404
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58547533
5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600381
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate (CID 178017091) is tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nccc3cnc(N[C@@H]4CCN(S(C)(=O)=O)C[C@H]4O)cc23)CC1.
What is the InChIKey of tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate?
The InChIKey is QRNIUGLTDWYXCC-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H35N5O5S/c1-24(2,3)34-23(31)28-10-6-16(7-11-28)22-18-13-21(26-14-17(18)5-9-25-22)27-19-8-12-29(15-20(19)30)35(4,32)33/h5,9,13-14,16,19-20,30H,6-8,10-12,15H2,1-4H3,(H,26,27)/t19-,20-/m1/s1.
What are the key properties of tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate has a molecular weight of 505.64 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 178017091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).