3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide

C28H22N8O7 — CID 136502186

IUPAC3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide
SMILESO=C1COc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCc5cc(-c6noc(=O)[nH]6)ccc54)n4c(O)cnc4n3)cc2N1
InChIInChI=1S/C28H22N8O7/c37-22-12-42-21-6-1-13(7-18(21)31-22)10-29-25(39)19-9-20(36-23(38)11-30-27(36)33-19)26(40)32-17-5-3-14-8-15(2-4-16(14)17)24-34-28(41)43-35-24/h1-2,4,6-9,11,17,38H,3,5,10,12H2,(H,29,39)(H,31,37)(H,32,40)(H,34,35,41)/t17-/m0/s1
InChIKeyXMGMYZMDXGYFHB-KRWDZBQOSA-N
MW582.53 g/mol
LogP1.46
Rot. Bonds6

About 3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide

3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide (PubChem CID 136502186) has the molecular formula C28H22N8O7 and a molecular weight of 582.53 g/mol. Its IUPAC name is 3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide
PubChem CID136502186
Molecular FormulaC28H22N8O7
Molecular Weight582.53 g/mol
Exact Mass582.16
IUPAC Name3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide
SMILESO=C1COc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCc5cc(-c6noc(=O)[nH]6)ccc54)n4c(O)cnc4n3)cc2N1
InChIInChI=1S/C28H22N8O7/c37-22-12-42-21-6-1-13(7-18(21)31-22)10-29-25(39)19-9-20(36-23(38)11-30-27(36)33-19)26(40)32-17-5-3-14-8-15(2-4-16(14)17)24-34-28(41)43-35-24/h1-2,4,6-9,11,17,38H,3,5,10,12H2,(H,29,39)(H,31,37)(H,32,40)(H,34,35,41)/t17-/m0/s1
InChIKeyXMGMYZMDXGYFHB-KRWDZBQOSA-N
XLogP1.46
TPSA205.84 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.53
LogP ≤ 51.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide 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

7-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59463052
7-N-[[3-[[(2-amino-3,4-dioxocyclobuten-1-yl)amino]methyl]phenyl]methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-sulfanylidene-[1,2,4]oxadiazolo[4,3-a]pyrimidine-5,7-dicarboxamide
CID 136658979
(1S)-4-methyl-1-[[3-oxo-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-[1,2,4]oxadiazolo[4,3-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 91433023
5-N-[[3-[(2-amino-3,4-dioxocyclobuten-1-yl)amino]phenyl]methyl]-7-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2,5,7-tricarboxamide
CID 136598496
6-N-[[1-[2-(methylamino)-3,4-dioxocyclobuten-1-yl]indazol-6-yl]methyl]-4-N-[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 143272704
(1S)-1-[[5-[[3-[[(2-amino-3,4-dioxocyclobuten-1-yl)amino]methyl]phenyl]methylcarbamoyl]-3-hydroxyimidazo[1,2-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 91061103
7-N-(azetidin-3-yl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460981
2-amino-7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]imidazo[1,2-a]pyrimidine-5-carboxylic acid
CID 91363917
2-methyl-4-[[[7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-3-sulfanylidene-[1,2,4]oxadiazolo[4,3-a]pyrimidine-5-carbonyl]amino]methyl]benzoic acid
CID 91095120
5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91322133
4-[[[5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carbonyl]amino]methyl]benzoic acid;4-[[[7-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carbonyl]amino]methyl]benzoic acid
CID 161317331
2-amino-6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686442

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide (CID 136502186) is 3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide is O=C1COc2ccc(CNC(=O)c3cc(C(=O)N[C@H]4CCc5cc(-c6noc(=O)[nH]6)ccc54)n4c(O)cnc4n3)cc2N1.
What is the InChIKey of 3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is XMGMYZMDXGYFHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H22N8O7/c37-22-12-42-21-6-1-13(7-18(21)31-22)10-29-25(39)19-9-20(36-23(38)11-30-27(36)33-19)26(40)32-17-5-3-14-8-15(2-4-16(14)17)24-34-28(41)43-35-24/h1-2,4,6-9,11,17,38H,3,5,10,12H2,(H,29,39)(H,31,37)(H,32,40)(H,34,35,41)/t17-/m0/s1.
What are the key properties of 3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide?
3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 582.53 g/mol, XLogP of 1.46, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-N-[(1S)-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]imidazo[1,2-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 136502186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).