2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid

C16H18FN5O2 — CID 91268307

IUPAC2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid
SMILESCC(C(=O)O)c1nc2c(N)nc3cccnc3c2n1CC(C)(C)F
InChIInChI=1S/C16H18FN5O2/c1-8(15(23)24)14-21-11-12(22(14)7-16(2,3)17)10-9(20-13(11)18)5-4-6-19-10/h4-6,8H,7H2,1-3H3,(H2,18,20)(H,23,24)
InChIKeySNBNSXRVDCEAHE-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.50
Rot. Bonds4

About 2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid

2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid (PubChem CID 91268307) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid
PubChem CID91268307
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid
SMILESCC(C(=O)O)c1nc2c(N)nc3cccnc3c2n1CC(C)(C)F
InChIInChI=1S/C16H18FN5O2/c1-8(15(23)24)14-21-11-12(22(14)7-16(2,3)17)10-9(20-13(11)18)5-4-6-19-10/h4-6,8H,7H2,1-3H3,(H2,18,20)(H,23,24)
InChIKeySNBNSXRVDCEAHE-UHFFFAOYSA-N
XLogP2.50
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid with MolForge

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Related Compounds

[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate
CID 68940335
[4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol
CID 143284375
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751
1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea
CID 10001667
N-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]acetamide
CID 20628617
1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
CID 143051742
2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 155067176
1-(2-aminoethyl)-2-(methoxymethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 68936410
1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
CID 91308676
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199
N-[4-(4-amino-2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-N-methoxybenzamide
CID 58869112
1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
CID 68933255

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid?
The IUPAC name of 2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid (CID 91268307) is 2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid.
What is the SMILES notation for 2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid?
The canonical SMILES for 2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid is CC(C(=O)O)c1nc2c(N)nc3cccnc3c2n1CC(C)(C)F.
What is the InChIKey of 2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid?
The InChIKey is SNBNSXRVDCEAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-8(15(23)24)14-21-11-12(22(14)7-16(2,3)17)10-9(20-13(11)18)5-4-6-19-10/h4-6,8H,7H2,1-3H3,(H2,18,20)(H,23,24).
What are the key properties of 2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid?
2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid has a molecular weight of 331.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid is sourced from PubChem (CID 91268307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).