tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate

C32H37FN4O5 — CID 121401205

IUPACtert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc3c(c2)Cc2ccc(F)c(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1
InChIInChI=1S/C32H37FN4O5/c1-32(2,3)42-31(39)37-10-8-22(9-11-37)34-23-5-7-27-21(17-23)16-20-4-6-25(33)29(30(20)41-27)26-18-24(19-28(38)35-26)36-12-14-40-15-13-36/h4-7,17-19,22,34H,8-16H2,1-3H3,(H,35,38)
InChIKeyUJAHRAKEYVLZGG-UHFFFAOYSA-N
MW576.67 g/mol
LogP5.53
Rot. Bonds4

About tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate

tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate (PubChem CID 121401205) has the molecular formula C32H37FN4O5 and a molecular weight of 576.67 g/mol. Its IUPAC name is tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate
PubChem CID121401205
Molecular FormulaC32H37FN4O5
Molecular Weight576.67 g/mol
Exact Mass576.27
IUPAC Nametert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc3c(c2)Cc2ccc(F)c(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1
InChIInChI=1S/C32H37FN4O5/c1-32(2,3)42-31(39)37-10-8-22(9-11-37)34-23-5-7-27-21(17-23)16-20-4-6-25(33)29(30(20)41-27)26-18-24(19-28(38)35-26)36-12-14-40-15-13-36/h4-7,17-19,22,34H,8-16H2,1-3H3,(H,35,38)
InChIKeyUJAHRAKEYVLZGG-UHFFFAOYSA-N
XLogP5.53
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.67
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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CID 67280374
CID 67280375
CID 67280375
CID 68698588
CID 68698588
CID 68698589
CID 68698589
CID 68699581
CID 68699581
CID 68699582
CID 68699582
CID 121394024
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CID 121394148
CID 121394148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate (CID 121401205) is tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2ccc3c(c2)Cc2ccc(F)c(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1.
What is the InChIKey of tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is UJAHRAKEYVLZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN4O5/c1-32(2,3)42-31(39)37-10-8-22(9-11-37)34-23-5-7-27-21(17-23)16-20-4-6-25(33)29(30(20)41-27)26-18-24(19-28(38)35-26)36-12-14-40-15-13-36/h4-7,17-19,22,34H,8-16H2,1-3H3,(H,35,38).
What are the key properties of tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 576.67 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 121401205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).