4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine

C17H24N6O — CID 91519763

IUPAC4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine
SMILESCONCCCCn1cnc2c(C(C)CN)nc3cccnc3c21
InChIInChI=1S/C17H24N6O/c1-12(10-18)14-16-17(15-13(22-14)6-5-7-19-15)23(11-20-16)9-4-3-8-21-24-2/h5-7,11-12,21H,3-4,8-10,18H2,1-2H3
InChIKeyFEIJHZCEMBOKDD-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.97
Rot. Bonds8

About 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine

4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine (PubChem CID 91519763) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine.

Molecular Properties

Compound Name4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine
PubChem CID91519763
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine
SMILESCONCCCCn1cnc2c(C(C)CN)nc3cccnc3c21
InChIInChI=1S/C17H24N6O/c1-12(10-18)14-16-17(15-13(22-14)6-5-7-19-15)23(11-20-16)9-4-3-8-21-24-2/h5-7,11-12,21H,3-4,8-10,18H2,1-2H3
InChIKeyFEIJHZCEMBOKDD-UHFFFAOYSA-N
XLogP1.97
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine?
The IUPAC name of 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine (CID 91519763) is 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine.
What is the SMILES notation for 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine?
The canonical SMILES for 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine is CONCCCCn1cnc2c(C(C)CN)nc3cccnc3c21.
What is the InChIKey of 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine?
The InChIKey is FEIJHZCEMBOKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(10-18)14-16-17(15-13(22-14)6-5-7-19-15)23(11-20-16)9-4-3-8-21-24-2/h5-7,11-12,21H,3-4,8-10,18H2,1-2H3.
What are the key properties of 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine?
4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine has a molecular weight of 328.42 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminopropan-2-yl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-N-methoxybutan-1-amine is sourced from PubChem (CID 91519763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).