3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one

C26H27N5O3 — CID 10479253

IUPAC3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2n1
InChIInChI=1S/C26H27N5O3/c1-33-24-7-6-22-25(29-24)20(8-11-27-22)23-16-31(26(32)34-23)19-9-12-30(13-10-19)15-18-14-17-4-2-3-5-21(17)28-18/h2-8,11,14,19,23,28H,9-10,12-13,15-16H2,1H3
InChIKeySRUSMBPQXNKIIG-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.28
Rot. Bonds5

About 3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one

3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 10479253) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one
PubChem CID10479253
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2n1
InChIInChI=1S/C26H27N5O3/c1-33-24-7-6-22-25(29-24)20(8-11-27-22)23-16-31(26(32)34-23)19-9-12-30(13-10-19)15-18-14-17-4-2-3-5-21(17)28-18/h2-8,11,14,19,23,28H,9-10,12-13,15-16H2,1H3
InChIKeySRUSMBPQXNKIIG-UHFFFAOYSA-N
XLogP4.28
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one (CID 10479253) is 3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one is COc1ccc2nccc(C3CN(C4CCN(Cc5cc6ccccc6[nH]5)CC4)C(=O)O3)c2n1.
What is the InChIKey of 3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is SRUSMBPQXNKIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-33-24-7-6-22-25(29-24)20(8-11-27-22)23-16-31(26(32)34-23)19-9-12-30(13-10-19)15-18-14-17-4-2-3-5-21(17)28-18/h2-8,11,14,19,23,28H,9-10,12-13,15-16H2,1H3.
What are the key properties of 3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one?
3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 457.53 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-indol-2-ylmethyl)piperidin-4-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10479253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).