tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate

C32H39N7O4 — CID 162753878

IUPACtert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate
SMILESCc1cc2c(N3CCN(CC(=O)OC(C)(C)C)c4cc(-c5cnn(C)c5)ncc43)cc(N3CCOCC3)cc2n(C)c1=O
InChIInChI=1S/C32H39N7O4/c1-21-13-24-26(36(6)31(21)41)14-23(37-9-11-42-12-10-37)15-27(24)39-8-7-38(20-30(40)43-32(2,3)4)28-16-25(33-18-29(28)39)22-17-34-35(5)19-22/h13-19H,7-12,20H2,1-6H3
InChIKeyZGGQXVBPURVARK-UHFFFAOYSA-N
MW585.71 g/mol
LogP3.78
Rot. Bonds5

About tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate

tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate (PubChem CID 162753878) has the molecular formula C32H39N7O4 and a molecular weight of 585.71 g/mol. Its IUPAC name is tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate
PubChem CID162753878
Molecular FormulaC32H39N7O4
Molecular Weight585.71 g/mol
Exact Mass585.31
IUPAC Nametert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate
SMILESCc1cc2c(N3CCN(CC(=O)OC(C)(C)C)c4cc(-c5cnn(C)c5)ncc43)cc(N3CCOCC3)cc2n(C)c1=O
InChIInChI=1S/C32H39N7O4/c1-21-13-24-26(36(6)31(21)41)14-23(37-9-11-42-12-10-37)15-27(24)39-8-7-38(20-30(40)43-32(2,3)4)28-16-25(33-18-29(28)39)22-17-34-35(5)19-22/h13-19H,7-12,20H2,1-6H3
InChIKeyZGGQXVBPURVARK-UHFFFAOYSA-N
XLogP3.78
TPSA97.96 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one
CID 162753608
[1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-2-oxoquinolin-7-yl] trifluoromethanesulfonate
CID 162753706
1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1,6-naphthyridin-2-one;ethane
CID 162753841
ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate
CID 122597592
tert-butyl 2-[4-[2-(cyclopropanecarbonyl)hydrazinyl]-7-morpholin-4-yl-2-oxopyrido[3,2-d]pyrimidin-1-yl]acetate
CID 164901899
4-[1,3-dimethyl-2-oxo-7-(2-piperidin-4-ylethoxy)quinolin-5-yl]-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 176986611
tert-butyl 2-[8-[2-(2,2-dimethylpropanoyl)hydrazinyl]-3-morpholin-4-ylpyrido[2,3-d]pyridazin-5-yl]acetate
CID 164901886
2-[4-[7-(difluoromethyl)-1-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]acetamide
CID 177223835
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 162753645
tert-butyl 2-[(1R,3S)-1-fluoro-6-(1-methylpyrazol-4-yl)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetate
CID 118958129
4-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]morpholine
CID 175820266

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate (CID 162753878) is tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate is Cc1cc2c(N3CCN(CC(=O)OC(C)(C)C)c4cc(-c5cnn(C)c5)ncc43)cc(N3CCOCC3)cc2n(C)c1=O.
What is the InChIKey of tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate?
The InChIKey is ZGGQXVBPURVARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N7O4/c1-21-13-24-26(36(6)31(21)41)14-23(37-9-11-42-12-10-37)15-27(24)39-8-7-38(20-30(40)43-32(2,3)4)28-16-25(33-18-29(28)39)22-17-34-35(5)19-22/h13-19H,7-12,20H2,1-6H3.
What are the key properties of tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate?
tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate has a molecular weight of 585.71 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(1,3-dimethyl-7-morpholin-4-yl-2-oxoquinolin-5-yl)-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-1-yl]acetate is sourced from PubChem (CID 162753878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).