2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one

C23H25N5O2 — CID 171801805

IUPAC2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one
SMILESCOc1cncc2c(=O)n(Cc3cn4cc(CNCC5CCC5)ccc4n3)ccc12
InChIInChI=1S/C23H25N5O2/c1-30-21-12-25-11-20-19(21)7-8-27(23(20)29)14-18-15-28-13-17(5-6-22(28)26-18)10-24-9-16-3-2-4-16/h5-8,11-13,15-16,24H,2-4,9-10,14H2,1H3
InChIKeyGKRFQSDDTJAZDV-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.99
Rot. Bonds7

About 2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one

2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one (PubChem CID 171801805) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one
PubChem CID171801805
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one
SMILESCOc1cncc2c(=O)n(Cc3cn4cc(CNCC5CCC5)ccc4n3)ccc12
InChIInChI=1S/C23H25N5O2/c1-30-21-12-25-11-20-19(21)7-8-27(23(20)29)14-18-15-28-13-17(5-6-22(28)26-18)10-24-9-16-3-2-4-16/h5-8,11-13,15-16,24H,2-4,9-10,14H2,1H3
InChIKeyGKRFQSDDTJAZDV-UHFFFAOYSA-N
XLogP2.99
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride
CID 155702903
5-hydroxy-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,7-naphthyridin-1-one
CID 168970759
2-[[6-[[[4-(hydroxymethyl)-2-pyridinyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-phenyl-2,7-naphthyridin-1-one
CID 176639786
tert-butyl N-(cyclobutylmethyl)-N-[[2-[(6-methoxy-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 174344899
2-[[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one;ethane
CID 168971053
5-bromo-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,7-naphthyridin-1-one
CID 168971066
N-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]imidazo[1,5-a]pyridine-8-carboxamide
CID 163239121
5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
CID 168970873
tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
CID 155167651
1-cyclobutyl-N-[[2-[[4-[5-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
CID 171084244
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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one?
The IUPAC name of 2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one (CID 171801805) is 2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one is COc1cncc2c(=O)n(Cc3cn4cc(CNCC5CCC5)ccc4n3)ccc12.
What is the InChIKey of 2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one?
The InChIKey is GKRFQSDDTJAZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-30-21-12-25-11-20-19(21)7-8-27(23(20)29)14-18-15-28-13-17(5-6-22(28)26-18)10-24-9-16-3-2-4-16/h5-8,11-13,15-16,24H,2-4,9-10,14H2,1H3.
What are the key properties of 2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one?
2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one has a molecular weight of 403.49 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one is sourced from PubChem (CID 171801805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).