(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one

C27H32N6O3 — CID 25097709

IUPAC(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(N3CCN(C[C@@H]4CN(c5ccc(N6CCCC6)cc5)C(=O)O4)CC3)c2n1
InChIInChI=1S/C27H32N6O3/c1-35-25-9-8-23-26(29-25)24(10-11-28-23)32-16-14-30(15-17-32)18-22-19-33(27(34)36-22)21-6-4-20(5-7-21)31-12-2-3-13-31/h4-11,22H,2-3,12-19H2,1H3/t22-/m1/s1
InChIKeyGJDASPGBTVMSQC-JOCHJYFZSA-N
MW488.59 g/mol
LogP3.39
Rot. Bonds6

About (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one

(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 25097709) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID25097709
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(N3CCN(C[C@@H]4CN(c5ccc(N6CCCC6)cc5)C(=O)O4)CC3)c2n1
InChIInChI=1S/C27H32N6O3/c1-35-25-9-8-23-26(29-25)24(10-11-28-23)32-16-14-30(15-17-32)18-22-19-33(27(34)36-22)21-6-4-20(5-7-21)31-12-2-3-13-31/h4-11,22H,2-3,12-19H2,1H3/t22-/m1/s1
InChIKeyGJDASPGBTVMSQC-JOCHJYFZSA-N
XLogP3.39
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 66954338
5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 66954527
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 25097429
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 25097708
(5S)-3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 66954392
5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 66954645
3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one
CID 66954206
(5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one
CID 66953797
(5R)-3-(3-fluoro-4-methylphenyl)-5-[[[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]methyl]-1,3-oxazolidin-2-one
CID 25096183
(5R)-3-(3-fluoro-4-methylphenyl)-5-[[[(1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-1,3-oxazolidin-2-one
CID 25096931
(5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
CID 66953920
6-[5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66954697

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one (CID 25097709) is (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one is COc1ccc2nccc(N3CCN(C[C@@H]4CN(c5ccc(N6CCCC6)cc5)C(=O)O4)CC3)c2n1.
What is the InChIKey of (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is GJDASPGBTVMSQC-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-35-25-9-8-23-26(29-25)24(10-11-28-23)32-16-14-30(15-17-32)18-22-19-33(27(34)36-22)21-6-4-20(5-7-21)31-12-2-3-13-31/h4-11,22H,2-3,12-19H2,1H3/t22-/m1/s1.
What are the key properties of (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one?
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 488.59 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 25097709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).