[3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone

C25H28N6O4 — CID 58970714

IUPAC[3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone
SMILESCC(C)(O)Cn1c(CO)nc2c(N)nc3cc(-c4cccc(C(=O)N5CCOCC5)c4)cnc3c21
InChIInChI=1S/C25H28N6O4/c1-25(2,34)14-31-19(13-32)29-21-22(31)20-18(28-23(21)26)11-17(12-27-20)15-4-3-5-16(10-15)24(33)30-6-8-35-9-7-30/h3-5,10-12,32,34H,6-9,13-14H2,1-2H3,(H2,26,28)
InChIKeyBRNCSXXIYQMADY-UHFFFAOYSA-N
MW476.54 g/mol
LogP1.96
Rot. Bonds5

About [3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone

[3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 58970714) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is [3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID58970714
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC Name[3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone
SMILESCC(C)(O)Cn1c(CO)nc2c(N)nc3cc(-c4cccc(C(=O)N5CCOCC5)c4)cnc3c21
InChIInChI=1S/C25H28N6O4/c1-25(2,34)14-31-19(13-32)29-21-22(31)20-18(28-23(21)26)11-17(12-27-20)15-4-3-5-16(10-15)24(33)30-6-8-35-9-7-30/h3-5,10-12,32,34H,6-9,13-14H2,1-2H3,(H2,26,28)
InChIKeyBRNCSXXIYQMADY-UHFFFAOYSA-N
XLogP1.96
TPSA139.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

[3-[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 58970704
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
CID 59699864
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[3-[3-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59700143
[4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
CID 91590495
[3-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
CID 50778885
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59836037
[3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 143178939
[3-[3-(2-ethoxy-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 70960684

Frequently Asked Questions

What is the IUPAC name of [3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone (CID 58970714) is [3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone is CC(C)(O)Cn1c(CO)nc2c(N)nc3cc(-c4cccc(C(=O)N5CCOCC5)c4)cnc3c21.
What is the InChIKey of [3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is BRNCSXXIYQMADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-25(2,34)14-31-19(13-32)29-21-22(31)20-18(28-23(21)26)11-17(12-27-20)15-4-3-5-16(10-15)24(33)30-6-8-35-9-7-30/h3-5,10-12,32,34H,6-9,13-14H2,1-2H3,(H2,26,28).
What are the key properties of [3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone?
[3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 476.54 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-amino-2-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58970714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).