1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol

C19H24N6O2 — CID 91308676

IUPAC1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1c(CONC2=CCCC2)nc2c(N)nc3cccnc3c21
InChIInChI=1S/C19H24N6O2/c1-19(2,26)11-25-14(10-27-24-12-6-3-4-7-12)23-16-17(25)15-13(22-18(16)20)8-5-9-21-15/h5-6,8-9,24,26H,3-4,7,10-11H2,1-2H3,(H2,20,22)
InChIKeyDNRLFDAFUNYODQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.42
Rot. Bonds6

About 1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol

1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol (PubChem CID 91308676) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
PubChem CID91308676
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1c(CONC2=CCCC2)nc2c(N)nc3cccnc3c21
InChIInChI=1S/C19H24N6O2/c1-19(2,26)11-25-14(10-27-24-12-6-3-4-7-12)23-16-17(25)15-13(22-18(16)20)8-5-9-21-15/h5-6,8-9,24,26H,3-4,7,10-11H2,1-2H3,(H2,20,22)
InChIKeyDNRLFDAFUNYODQ-UHFFFAOYSA-N
XLogP2.42
TPSA111.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
CID 143051742
[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
1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea
CID 11164204
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
1-(2-aminoethyl)-2-(methoxymethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 68936410
2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 155067176
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751
[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
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]butane-1-sulfonamide
CID 68999199
1-(4-amino-9-methoxy-2-propylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 158581646

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol (CID 91308676) is 1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1c(CONC2=CCCC2)nc2c(N)nc3cccnc3c21.
What is the InChIKey of 1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol?
The InChIKey is DNRLFDAFUNYODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-19(2,26)11-25-14(10-27-24-12-6-3-4-7-12)23-16-17(25)15-13(22-18(16)20)8-5-9-21-15/h5-6,8-9,24,26H,3-4,7,10-11H2,1-2H3,(H2,20,22).
What are the key properties of 1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol?
1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol has a molecular weight of 368.44 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 91308676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).