tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate

C36H45N5O5S — CID 90929669

IUPACtert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(-c3cc(-c4c(N5CCOCC5)sc5c4CC(C)(C)NC5=O)ccn3)c2)CC1
InChIInChI=1S/C36H45N5O5S/c1-35(2,3)46-34(44)39(6)26-11-14-40(15-12-26)32(43)25-9-7-8-23(20-25)28-21-24(10-13-37-28)29-27-22-36(4,5)38-31(42)30(27)47-33(29)41-16-18-45-19-17-41/h7-10,13,20-21,26H,11-12,14-19,22H2,1-6H3,(H,38,42)
InChIKeyFUVFMPNRZDBICK-UHFFFAOYSA-N
MW659.85 g/mol
LogP5.85
Rot. Bonds5

About tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate (PubChem CID 90929669) has the molecular formula C36H45N5O5S and a molecular weight of 659.85 g/mol. Its IUPAC name is tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate
PubChem CID90929669
Molecular FormulaC36H45N5O5S
Molecular Weight659.85 g/mol
Exact Mass659.31
IUPAC Nametert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(-c3cc(-c4c(N5CCOCC5)sc5c4CC(C)(C)NC5=O)ccn3)c2)CC1
InChIInChI=1S/C36H45N5O5S/c1-35(2,3)46-34(44)39(6)26-11-14-40(15-12-26)32(43)25-9-7-8-23(20-25)28-21-24(10-13-37-28)29-27-22-36(4,5)38-31(42)30(27)47-33(29)41-16-18-45-19-17-41/h7-10,13,20-21,26H,11-12,14-19,22H2,1-6H3,(H,38,42)
InChIKeyFUVFMPNRZDBICK-UHFFFAOYSA-N
XLogP5.85
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.85
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate with MolForge

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Launch Full Analysis

Related Compounds

5,5-dimethyl-3-[2-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]-4-pyridinyl]-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one
CID 68776456
3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide
CID 68776290
5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(piperidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydro-1-benzothiophen-7-one
CID 68774667
4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydrothieno[2,3-c]pyridin-7-one
CID 42635053
5,5-dimethyl-3-[2-(3-methylphenyl)-4-pyridinyl]-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one
CID 68776609
3-[4-(4-amino-5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]-N,N-dimethylbenzamide
CID 42633452
1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]phenyl]-3-piperidin-4-ylurea
CID 68776619
N-[[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]phenyl]methyl]acetamide
CID 68776372
3-[2-amino-6-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one
CID 68775778
N-[[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]phenyl]methyl]methanesulfonamide
CID 68777437
(4R)-4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-3-[2-(3-morpholin-4-ylphenyl)-4-pyridinyl]-4,6-dihydro-1-benzothiophen-7-one
CID 42634178
5,5-dimethyl-3-[2-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-pyridinyl]-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one
CID 68777998

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate (CID 90929669) is tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(-c3cc(-c4c(N5CCOCC5)sc5c4CC(C)(C)NC5=O)ccn3)c2)CC1.
What is the InChIKey of tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate?
The InChIKey is FUVFMPNRZDBICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N5O5S/c1-35(2,3)46-34(44)39(6)26-11-14-40(15-12-26)32(43)25-9-7-8-23(20-25)28-21-24(10-13-37-28)29-27-22-36(4,5)38-31(42)30(27)47-33(29)41-16-18-45-19-17-41/h7-10,13,20-21,26H,11-12,14-19,22H2,1-6H3,(H,38,42).
What are the key properties of tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate has a molecular weight of 659.85 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydrothieno[2,3-c]pyridin-3-yl)-2-pyridinyl]benzoyl]piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 90929669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).