tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate

C33H38N4O4 — CID 66888648

IUPACtert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate
SMILESCC(C)Oc1ccccc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1
InChIInChI=1S/C33H38N4O4/c1-21(2)40-28-9-7-6-8-26(28)27-20-24-14-17-34-31(38)29(24)30(36-27)35-25-12-10-22(11-13-25)23-15-18-37(19-16-23)32(39)41-33(3,4)5/h6-14,17,20-21,23H,15-16,18-19H2,1-5H3,(H,34,38)(H,35,36)
InChIKeyISFRVBXLVCOWSB-UHFFFAOYSA-N
MW554.69 g/mol
LogP7.24
Rot. Bonds6

About tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate

tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate (PubChem CID 66888648) has the molecular formula C33H38N4O4 and a molecular weight of 554.69 g/mol. Its IUPAC name is tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate
PubChem CID66888648
Molecular FormulaC33H38N4O4
Molecular Weight554.69 g/mol
Exact Mass554.29
IUPAC Nametert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate
SMILESCC(C)Oc1ccccc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1
InChIInChI=1S/C33H38N4O4/c1-21(2)40-28-9-7-6-8-26(28)27-20-24-14-17-34-31(38)29(24)30(36-27)35-25-12-10-22(11-13-25)23-15-18-37(19-16-23)32(39)41-33(3,4)5/h6-14,17,20-21,23H,15-16,18-19H2,1-5H3,(H,34,38)(H,35,36)
InChIKeyISFRVBXLVCOWSB-UHFFFAOYSA-N
XLogP7.24
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 4-[1-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]anilino]-8-oxo-7H-2,7-naphthyridin-3-yl]piperazine-1-carboxylate
CID 66888717
6-(2-phenoxyphenyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66888438
tert-butyl 4-[4-[[3-(6-methoxypyrazin-2-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-2-methylphenyl]piperidine-1-carboxylate
CID 66925689
8-[4-(1-acetylpiperidin-4-yl)anilino]-6-(5-hydroxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 143841447
6-(1H-indol-5-yl)-8-[4-[1-(1-oxoprop-1-en-2-yl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 143841236
8-[4-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
CID 50923262
6-(2,4-dimethoxypyrimidin-5-yl)-8-[4-(1-methylpiperidin-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 66888290
8-[4-(1-methylpiperidin-4-yl)anilino]-6-[3-(trifluoromethoxy)phenyl]-2H-2,7-naphthyridin-1-one
CID 58093773
1-[8-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]anilino]-6-(4-methylsulfonylphenyl)-1-oxo-2,7-naphthyridin-2-yl]propane-2-sulfinic acid
CID 66888213
8-[4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
CID 58094409
8-[4-(1-methylpiperidin-4-yl)anilino]-6-[1-(2-methylpropyl)pyrazol-4-yl]-2H-2,7-naphthyridin-1-one
CID 58094243
6-(6-methyl-2-pyridinyl)-8-[4-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 66887560

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate (CID 66888648) is tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate is CC(C)Oc1ccccc1-c1cc2cc[nH]c(=O)c2c(Nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1.
What is the InChIKey of tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate?
The InChIKey is ISFRVBXLVCOWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O4/c1-21(2)40-28-9-7-6-8-26(28)27-20-24-14-17-34-31(38)29(24)30(36-27)35-25-12-10-22(11-13-25)23-15-18-37(19-16-23)32(39)41-33(3,4)5/h6-14,17,20-21,23H,15-16,18-19H2,1-5H3,(H,34,38)(H,35,36).
What are the key properties of tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate?
tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate has a molecular weight of 554.69 g/mol, XLogP of 7.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[8-oxo-3-(2-propan-2-yloxyphenyl)-7H-2,7-naphthyridin-1-yl]amino]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 66888648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).