tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate

C28H31FN6O3 — CID 147322642

IUPACtert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(-c2cn(CCN3CCOCC3)cn2)c2ccc(-c3cccc(F)c3)nc12
InChIInChI=1S/C28H31FN6O3/c1-28(2,3)38-27(36)33-26-25-21(7-8-23(32-25)19-5-4-6-20(29)15-19)22(16-30-26)24-17-35(18-31-24)10-9-34-11-13-37-14-12-34/h4-8,15-18H,9-14H2,1-3H3,(H,30,33,36)
InChIKeyDACFTWKQEUYESJ-UHFFFAOYSA-N
MW518.59 g/mol
LogP4.98
Rot. Bonds6

About tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate

tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate (PubChem CID 147322642) has the molecular formula C28H31FN6O3 and a molecular weight of 518.59 g/mol. Its IUPAC name is tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate
PubChem CID147322642
Molecular FormulaC28H31FN6O3
Molecular Weight518.59 g/mol
Exact Mass518.24
IUPAC Nametert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(-c2cn(CCN3CCOCC3)cn2)c2ccc(-c3cccc(F)c3)nc12
InChIInChI=1S/C28H31FN6O3/c1-28(2,3)38-27(36)33-26-25-21(7-8-23(32-25)19-5-4-6-20(29)15-19)22(16-30-26)24-17-35(18-31-24)10-9-34-11-13-37-14-12-34/h4-8,15-18H,9-14H2,1-3H3,(H,30,33,36)
InChIKeyDACFTWKQEUYESJ-UHFFFAOYSA-N
XLogP4.98
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.59
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90415637
(4R)-4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145954559
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}carbamic acid methyl ester
CID 44444872
4-N-(3-methylphenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328378
4-N-(3-methylphenyl)-6-N-[3-(morpholin-4-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328379
4-[2-[(1-Methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]morpholine
CID 71203902
1-[4-(4-Morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-phenylurea
CID 137653212
4-[6-[4-[2-(3,4-Difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-yl]morpholine
CID 11454703
4-[5-(2-Amino-pyrimidin-4-yl)-4-(4-fluoro-phenyl)-imidazol-1-yl]-piperidine-1-carboxylic acid ethyl ester
CID 15407403
N-[4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]acetamide
CID 44336130
1-ethyl-3-[4-[7-(1-methylimidazol-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate (CID 147322642) is tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate is CC(C)(C)OC(=O)Nc1ncc(-c2cn(CCN3CCOCC3)cn2)c2ccc(-c3cccc(F)c3)nc12.
What is the InChIKey of tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate?
The InChIKey is DACFTWKQEUYESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O3/c1-28(2,3)38-27(36)33-26-25-21(7-8-23(32-25)19-5-4-6-20(29)15-19)22(16-30-26)24-17-35(18-31-24)10-9-34-11-13-37-14-12-34/h4-8,15-18H,9-14H2,1-3H3,(H,30,33,36).
What are the key properties of tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate?
tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate has a molecular weight of 518.59 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]carbamate is sourced from PubChem (CID 147322642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).