2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide

C27H32N6O5 — CID 86294080

IUPAC2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide
SMILESCOc1cccnc1[C@H](Cc1cn(C(C)(C)C(N)=O)c(=O)n2cc(-c3ncco3)nc12)OC1CCCCC1
InChIInChI=1S/C27H32N6O5/c1-27(2,25(28)34)33-15-17(23-31-19(16-32(23)26(33)35)24-30-12-13-37-24)14-21(38-18-8-5-4-6-9-18)22-20(36-3)10-7-11-29-22/h7,10-13,15-16,18,21H,4-6,8-9,14H2,1-3H3,(H2,28,34)/t21-/m0/s1
InChIKeyDQVPJMYFNXEZDC-NRFANRHFSA-N
MW520.59 g/mol
LogP3.41
Rot. Bonds9

About 2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide

2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide (PubChem CID 86294080) has the molecular formula C27H32N6O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is 2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide
PubChem CID86294080
Molecular FormulaC27H32N6O5
Molecular Weight520.59 g/mol
Exact Mass520.24
IUPAC Name2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide
SMILESCOc1cccnc1[C@H](Cc1cn(C(C)(C)C(N)=O)c(=O)n2cc(-c3ncco3)nc12)OC1CCCCC1
InChIInChI=1S/C27H32N6O5/c1-27(2,25(28)34)33-15-17(23-31-19(16-32(23)26(33)35)24-30-12-13-37-24)14-21(38-18-8-5-4-6-9-18)22-20(36-3)10-7-11-29-22/h7,10-13,15-16,18,21H,4-6,8-9,14H2,1-3H3,(H2,28,34)/t21-/m0/s1
InChIKeyDQVPJMYFNXEZDC-NRFANRHFSA-N
XLogP3.41
TPSA139.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide with MolForge

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Related Compounds

2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxopyrido[3,2-d]pyrimidin-3-yl]-2-methylpropanamide
CID 86292883
2-[7-[(2S)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxothieno[3,2-c]pyridin-5-yl]-2-methylpropanoic acid
CID 121286723
2-[1-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
CID 160607571
azetidine;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-3-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
CID 159277435
2-[1-[2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-4aH-thieno[2,3-d]pyrimidin-1-ium-3-yl]-2-methylpropanoic acid
CID 163199963
7-[(2S)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-(2-methyl-3-oxobutan-2-yl)-2-(1,3-oxazol-2-yl)-[1,3]oxazolo[5,4-c]pyridin-4-one
CID 134565553
2-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxofuro[3,2-d]pyrimidin-3-yl]-2-methylpropanoic acid
CID 169443402
7'-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[cyclobutane-3,5'-thieno[2,3-b]pyridine]-1-carboxylic acid
CID 163801758
2-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-c]pyridazin-3-yl]acetamide
CID 146271275
2-[1-[(2R)-2-[[(3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy]-2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-[[(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy]-2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;bis(2-[1-[(2S)-2-[[(3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy]-2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid)
CID 167686222
2-[1-[(2R)-2-(5-fluoro-2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanamide
CID 121449879
2-[1-[(2R)-2-cyclohexyloxy-2-(5-fluoro-2-methoxyphenyl)ethyl]-6-(1,3-oxazol-2-yl)-2,4-dioxoquinazolin-3-yl]-2-methylpropanoic acid;3-[1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-6-(1,3-oxazol-2-yl)-2,4-bis(sulfanylidene)pyrido[3,2-d]pyrimidin-3-yl]-3-methylbutan-2-one;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-6-(1,3-oxazol-2-yl)-3-[2-(1,3-oxazol-2-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione;8-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-3-(1,3-oxazol-2-yl)-6-(2-oxopropyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 161275952

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide?
The IUPAC name of 2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide (CID 86294080) is 2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide?
The canonical SMILES for 2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide is COc1cccnc1[C@H](Cc1cn(C(C)(C)C(N)=O)c(=O)n2cc(-c3ncco3)nc12)OC1CCCCC1.
What is the InChIKey of 2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide?
The InChIKey is DQVPJMYFNXEZDC-NRFANRHFSA-N. The full InChI is InChI=1S/C27H32N6O5/c1-27(2,25(28)34)33-15-17(23-31-19(16-32(23)26(33)35)24-30-12-13-37-24)14-21(38-18-8-5-4-6-9-18)22-20(36-3)10-7-11-29-22/h7,10-13,15-16,18,21H,4-6,8-9,14H2,1-3H3,(H2,28,34)/t21-/m0/s1.
What are the key properties of 2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide?
2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide has a molecular weight of 520.59 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2S)-2-cyclohexyloxy-2-(3-methoxy-2-pyridinyl)ethyl]-2-(1,3-oxazol-2-yl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]-2-methylpropanamide is sourced from PubChem (CID 86294080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).