tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate

C29H35N7O4 — CID 67346771

IUPACtert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate
SMILESCCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n4C)cc1
InChIInChI=1S/C29H35N7O4/c1-6-30-26(37)32-19-9-7-18(8-10-19)21-11-12-22-24(33-21)25-23(17-31-22)34(5)27(38)36(25)20-13-15-35(16-14-20)28(39)40-29(2,3)4/h7-12,17,20H,6,13-16H2,1-5H3,(H2,30,32,37)
InChIKeySSCOZTIRCZPKOI-UHFFFAOYSA-N
MW545.64 g/mol
LogP4.66
Rot. Bonds4

About tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate (PubChem CID 67346771) has the molecular formula C29H35N7O4 and a molecular weight of 545.64 g/mol. Its IUPAC name is tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate
PubChem CID67346771
Molecular FormulaC29H35N7O4
Molecular Weight545.64 g/mol
Exact Mass545.28
IUPAC Nametert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate
SMILESCCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n4C)cc1
InChIInChI=1S/C29H35N7O4/c1-6-30-26(37)32-19-9-7-18(8-10-19)21-11-12-22-24(33-21)25-23(17-31-22)34(5)27(38)36(25)20-13-15-35(16-14-20)28(39)40-29(2,3)4/h7-12,17,20H,6,13-16H2,1-5H3,(H2,30,32,37)
InChIKeySSCOZTIRCZPKOI-UHFFFAOYSA-N
XLogP4.66
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.64
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

1-[1-(2-Methoxyacetyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379663
1-[2-(Dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286306
ATM Inhibitor-2
CID 163286323
1-[2-(Dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286331
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpiperidin-3-yl)urea
CID 163286354
US20230348462, Example 52
CID 163286355
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea
CID 163286373
Tert-butyl 4-[[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 163289553
3-Methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one
CID 134163712
1-[2-(Dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-1-methylurea
CID 168284896
tert-butyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazol-4-yl]piperazine-1-carboxylate
CID 45484548
1-[1-(2-Hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379530

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate (CID 67346771) is tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate is CCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n4C)cc1.
What is the InChIKey of tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate?
The InChIKey is SSCOZTIRCZPKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O4/c1-6-30-26(37)32-19-9-7-18(8-10-19)21-11-12-22-24(33-21)25-23(17-31-22)34(5)27(38)36(25)20-13-15-35(16-14-20)28(39)40-29(2,3)4/h7-12,17,20H,6,13-16H2,1-5H3,(H2,30,32,37).
What are the key properties of tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate has a molecular weight of 545.64 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[8-[4-(ethylcarbamoylamino)phenyl]-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 67346771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).