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

C26H31N5O2 — CID 171801686

IUPAC2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one
SMILESO=c1c2cncc(NCCCO)c2ccn1Cc1ccc2cc(CNCC3CCC3)[nH]c2c1
InChIInChI=1S/C26H31N5O2/c32-10-2-8-29-25-16-28-15-23-22(25)7-9-31(26(23)33)17-19-5-6-20-12-21(30-24(20)11-19)14-27-13-18-3-1-4-18/h5-7,9,11-12,15-16,18,27,29-30,32H,1-4,8,10,13-14,17H2
InChIKeyZGYVAIQODRKCQO-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.61
Rot. Bonds10

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

2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one (PubChem CID 171801686) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one
PubChem CID171801686
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one
SMILESO=c1c2cncc(NCCCO)c2ccn1Cc1ccc2cc(CNCC3CCC3)[nH]c2c1
InChIInChI=1S/C26H31N5O2/c32-10-2-8-29-25-16-28-15-23-22(25)7-9-31(26(23)33)17-19-5-6-20-12-21(30-24(20)11-19)14-27-13-18-3-1-4-18/h5-7,9,11-12,15-16,18,27,29-30,32H,1-4,8,10,13-14,17H2
InChIKeyZGYVAIQODRKCQO-UHFFFAOYSA-N
XLogP3.61
TPSA94.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(4-methoxypiperidin-1-yl)-2,7-naphthyridin-1-one
CID 171801739
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3,6-dihydro-2H-pyran-4-yl)-2,7-naphthyridin-1-one
CID 171801821
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
N-[[2-[(3-cyclobutylpropanoylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 175384488

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one?
The IUPAC name of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one (CID 171801686) is 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one is O=c1c2cncc(NCCCO)c2ccn1Cc1ccc2cc(CNCC3CCC3)[nH]c2c1.
What is the InChIKey of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one?
The InChIKey is ZGYVAIQODRKCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c32-10-2-8-29-25-16-28-15-23-22(25)7-9-31(26(23)33)17-19-5-6-20-12-21(30-24(20)11-19)14-27-13-18-3-1-4-18/h5-7,9,11-12,15-16,18,27,29-30,32H,1-4,8,10,13-14,17H2.
What are the key properties of 2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one?
2-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-5-(3-hydroxypropylamino)-2,7-naphthyridin-1-one has a molecular weight of 445.57 g/mol, XLogP of 3.61, 10 rotatable bonds, 4 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-(3-hydroxypropylamino)-2,7-naphthyridin-1-one is sourced from PubChem (CID 171801686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).