1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one

C18H22N6O2 — CID 58967529

IUPAC1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one
SMILESCC(C)Cn1c(CO)nc2c(N)nc3cc(N4CCCC4=O)cnc3c21
InChIInChI=1S/C18H22N6O2/c1-10(2)8-24-13(9-25)22-16-17(24)15-12(21-18(16)19)6-11(7-20-15)23-5-3-4-14(23)26/h6-7,10,25H,3-5,8-9H2,1-2H3,(H2,19,21)
InChIKeyMZODKBJKVWHXAJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.84
Rot. Bonds4

About 1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one

1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one (PubChem CID 58967529) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one
PubChem CID58967529
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one
SMILESCC(C)Cn1c(CO)nc2c(N)nc3cc(N4CCCC4=O)cnc3c21
InChIInChI=1S/C18H22N6O2/c1-10(2)8-24-13(9-25)22-16-17(24)15-12(21-18(16)19)6-11(7-20-15)23-5-3-4-14(23)26/h6-7,10,25H,3-5,8-9H2,1-2H3,(H2,19,21)
InChIKeyMZODKBJKVWHXAJ-UHFFFAOYSA-N
XLogP1.84
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one
CID 67382111
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate
CID 53419442
7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 58833712
N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide
CID 11442679
3-(2-methylpropyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfanyl]quinazolin-4-one
CID 51365371
7-[(3,4-dichlorophenyl)methoxy]-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11351558
2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 67052415
(2R)-2-amino-N-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]propanamide;hydrochloride
CID 120873315
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
1-[3-[4-amino-1-[4-(1,1-dihydroxy-1,2-thiazolidin-2-yl)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one
CID 68968933
[1-(2-methylpropyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334161

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one (CID 58967529) is 1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one is CC(C)Cn1c(CO)nc2c(N)nc3cc(N4CCCC4=O)cnc3c21.
What is the InChIKey of 1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one?
The InChIKey is MZODKBJKVWHXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-10(2)8-24-13(9-25)22-16-17(24)15-12(21-18(16)19)6-11(7-20-15)23-5-3-4-14(23)26/h6-7,10,25H,3-5,8-9H2,1-2H3,(H2,19,21).
What are the key properties of 1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one?
1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(hydroxymethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-7-yl]pyrrolidin-2-one is sourced from PubChem (CID 58967529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).