2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one

C29H35N5O2 — CID 171801739

IUPAC2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one
SMILESCOC1CCN(c2cncc3c(=O)n(Cc4ccc5cc(CNCC6CCC6)[nH]c5c4)ccc23)CC1
InChIInChI=1S/C29H35N5O2/c1-36-24-7-10-33(11-8-24)28-18-31-17-26-25(28)9-12-34(29(26)35)19-21-5-6-22-14-23(32-27(22)13-21)16-30-15-20-3-2-4-20/h5-6,9,12-14,17-18,20,24,30,32H,2-4,7-8,10-11,15-16,19H2,1H3
InChIKeyQKDHYDPIOUYBMQ-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.43
Rot. Bonds8

About 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one

2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one (PubChem CID 171801739) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one
PubChem CID171801739
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one
SMILESCOC1CCN(c2cncc3c(=O)n(Cc4ccc5cc(CNCC6CCC6)[nH]c5c4)ccc23)CC1
InChIInChI=1S/C29H35N5O2/c1-36-24-7-10-33(11-8-24)28-18-31-17-26-25(28)9-12-34(29(26)35)19-21-5-6-22-14-23(32-27(22)13-21)16-30-15-20-3-2-4-20/h5-6,9,12-14,17-18,20,24,30,32H,2-4,7-8,10-11,15-16,19H2,1H3
InChIKeyQKDHYDPIOUYBMQ-UHFFFAOYSA-N
XLogP4.43
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one?
The IUPAC name of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one (CID 171801739) is 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one is COC1CCN(c2cncc3c(=O)n(Cc4ccc5cc(CNCC6CCC6)[nH]c5c4)ccc23)CC1.
What is the InChIKey of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one?
The InChIKey is QKDHYDPIOUYBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-36-24-7-10-33(11-8-24)28-18-31-17-26-25(28)9-12-34(29(26)35)19-21-5-6-22-14-23(32-27(22)13-21)16-30-15-20-3-2-4-20/h5-6,9,12-14,17-18,20,24,30,32H,2-4,7-8,10-11,15-16,19H2,1H3.
What are the key properties of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one?
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one has a molecular weight of 485.63 g/mol, XLogP of 4.43, 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-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 171801739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).