2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one

C29H32N4O3 — CID 171801702

IUPAC2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one
SMILESO=c1c2cncc(OC3CC4(COC4)C3)c2ccn1Cc1ccc2cc(CNCC3CCC3)[nH]c2c1
InChIInChI=1S/C29H32N4O3/c34-28-25-14-31-15-27(36-23-10-29(11-23)17-35-18-29)24(25)6-7-33(28)16-20-4-5-21-9-22(32-26(21)8-20)13-30-12-19-2-1-3-19/h4-9,14-15,19,23,30,32H,1-3,10-13,16-18H2
InChIKeyAZEKGXGIBCXTOM-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.37
Rot. Bonds8

About 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one

2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one (PubChem CID 171801702) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one
PubChem CID171801702
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one
SMILESO=c1c2cncc(OC3CC4(COC4)C3)c2ccn1Cc1ccc2cc(CNCC3CCC3)[nH]c2c1
InChIInChI=1S/C29H32N4O3/c34-28-25-14-31-15-27(36-23-10-29(11-23)17-35-18-29)24(25)6-7-33(28)16-20-4-5-21-9-22(32-26(21)8-20)13-30-12-19-2-1-3-19/h4-9,14-15,19,23,30,32H,1-3,10-13,16-18H2
InChIKeyAZEKGXGIBCXTOM-UHFFFAOYSA-N
XLogP4.37
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one?
The IUPAC name of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one (CID 171801702) is 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one is O=c1c2cncc(OC3CC4(COC4)C3)c2ccn1Cc1ccc2cc(CNCC3CCC3)[nH]c2c1.
What is the InChIKey of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one?
The InChIKey is AZEKGXGIBCXTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c34-28-25-14-31-15-27(36-23-10-29(11-23)17-35-18-29)24(25)6-7-33(28)16-20-4-5-21-9-22(32-26(21)8-20)13-30-12-19-2-1-3-19/h4-9,14-15,19,23,30,32H,1-3,10-13,16-18H2.
What are the key properties of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one?
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one has a molecular weight of 484.60 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one is sourced from PubChem (CID 171801702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).