2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one

C28H30N4O2 — CID 171801821

IUPAC2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one
SMILESO=c1c2cncc(C3=CCOCC3)c2ccn1Cc1ccc2cc(CNCC3CCC3)[nH]c2c1
InChIInChI=1S/C28H30N4O2/c33-28-26-17-30-16-25(21-7-10-34-11-8-21)24(26)6-9-32(28)18-20-4-5-22-13-23(31-27(22)12-20)15-29-14-19-2-1-3-19/h4-7,9,12-13,16-17,19,29,31H,1-3,8,10-11,14-15,18H2
InChIKeyDMHUYPJFTFLMJJ-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.62
Rot. Bonds7

About 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one

2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one (PubChem CID 171801821) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one
PubChem CID171801821
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one
SMILESO=c1c2cncc(C3=CCOCC3)c2ccn1Cc1ccc2cc(CNCC3CCC3)[nH]c2c1
InChIInChI=1S/C28H30N4O2/c33-28-26-17-30-16-25(21-7-10-34-11-8-21)24(26)6-9-32(28)18-20-4-5-22-13-23(31-27(22)12-20)15-29-14-19-2-1-3-19/h4-7,9,12-13,16-17,19,29,31H,1-3,8,10-11,14-15,18H2
InChIKeyDMHUYPJFTFLMJJ-UHFFFAOYSA-N
XLogP4.62
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(2-oxaspiro[3.3]heptan-6-yloxy)-2,7-naphthyridin-1-one
CID 171801702
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one
CID 171801686
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one
CID 171801739
tert-butyl N-(cyclobutylmethyl)-N-[[6-[(5-ethynyl-1-oxo-2,7-naphthyridin-2-yl)methyl]-1H-indol-2-yl]methyl]carbamate
CID 171801795
5-bromo-2-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one
CID 174345427
5-bromo-2-[[2-(2-piperidin-1-ylethyl)-1H-indol-6-yl]methyl]-2,7-naphthyridin-1-one
CID 171801800
7-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]-8-oxo-2,7-naphthyridine-4-carboxylic acid
CID 171801787
1-cyclobutyl-N-[[6-[(4-imidazo[5,1-b][1,3]thiazol-2-yltriazol-1-yl)methyl]-1H-indol-2-yl]methyl]methanamine
CID 169095796
N-[[6-(azidomethyl)-1H-indol-2-yl]methyl]-1-cyclobutylmethanamine
CID 176815676
1-cyclobutyl-N-[[6-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]-1H-indol-2-yl]methyl]methanamine;hydrochloride
CID 175791496
2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one
CID 171801805
1-[(3,4-dichlorophenyl)methyl]-4-[5-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 135332395

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one?
The IUPAC name of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one (CID 171801821) is 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one is O=c1c2cncc(C3=CCOCC3)c2ccn1Cc1ccc2cc(CNCC3CCC3)[nH]c2c1.
What is the InChIKey of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one?
The InChIKey is DMHUYPJFTFLMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c33-28-26-17-30-16-25(21-7-10-34-11-8-21)24(26)6-9-32(28)18-20-4-5-22-13-23(31-27(22)12-20)15-29-14-19-2-1-3-19/h4-7,9,12-13,16-17,19,29,31H,1-3,8,10-11,14-15,18H2.
What are the key properties of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one?
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one has a molecular weight of 454.57 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 171801821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).