3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one

C26H26FN5O4S — CID 173483017

IUPAC3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one
SMILESC=c1c(=O)c(=C2NC=C(CC3=CCC(F)C=C3)S2)nc2c(N3CCOC3=O)cc(N3CCOCC3)cn12
InChIInChI=1S/C26H26FN5O4S/c1-16-23(33)22(25-28-14-20(37-25)12-17-2-4-18(27)5-3-17)29-24-21(31-8-11-36-26(31)34)13-19(15-32(16)24)30-6-9-35-10-7-30/h2-4,13-15,18,28H,1,5-12H2
InChIKeyCOWBWYDUQRXGEJ-UHFFFAOYSA-N
MW523.59 g/mol
LogP1.76
Rot. Bonds4

About 3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one

3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one (PubChem CID 173483017) has the molecular formula C26H26FN5O4S and a molecular weight of 523.59 g/mol. Its IUPAC name is 3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one
PubChem CID173483017
Molecular FormulaC26H26FN5O4S
Molecular Weight523.59 g/mol
Exact Mass523.17
IUPAC Name3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one
SMILESC=c1c(=O)c(=C2NC=C(CC3=CCC(F)C=C3)S2)nc2c(N3CCOC3=O)cc(N3CCOCC3)cn12
InChIInChI=1S/C26H26FN5O4S/c1-16-23(33)22(25-28-14-20(37-25)12-17-2-4-18(27)5-3-17)29-24-21(31-8-11-36-26(31)34)13-19(15-32(16)24)30-6-9-35-10-7-30/h2-4,13-15,18,28H,1,5-12H2
InChIKeyCOWBWYDUQRXGEJ-UHFFFAOYSA-N
XLogP1.76
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one (CID 173483017) is 3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one is C=c1c(=O)c(=C2NC=C(CC3=CCC(F)C=C3)S2)nc2c(N3CCOC3=O)cc(N3CCOCC3)cn12.
What is the InChIKey of 3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one?
The InChIKey is COWBWYDUQRXGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4S/c1-16-23(33)22(25-28-14-20(37-25)12-17-2-4-18(27)5-3-17)29-24-21(31-8-11-36-26(31)34)13-19(15-32(16)24)30-6-9-35-10-7-30/h2-4,13-15,18,28H,1,5-12H2.
What are the key properties of 3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one?
3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one has a molecular weight of 523.59 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3H-1,3-thiazol-2-ylidene]-4-methylidene-7-morpholin-4-yl-3-oxopyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 173483017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).