2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol

C16H18ClN5O — CID 90288794

IUPAC2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol
SMILESOCCNCCCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C16H18ClN5O/c17-16-3-2-14-15(21-16)8-12(9-19-14)13-10-20-22(11-13)6-1-4-18-5-7-23/h2-3,8-11,18,23H,1,4-7H2
InChIKeyYVVSSMBATGWPDD-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.12
Rot. Bonds7

About 2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol

2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol (PubChem CID 90288794) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol
PubChem CID90288794
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol
SMILESOCCNCCCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C16H18ClN5O/c17-16-3-2-14-15(21-16)8-12(9-19-14)13-10-20-22(11-13)6-1-4-18-5-7-23/h2-3,8-11,18,23H,1,4-7H2
InChIKeyYVVSSMBATGWPDD-UHFFFAOYSA-N
XLogP2.12
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol?
The IUPAC name of 2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol (CID 90288794) is 2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol.
What is the SMILES notation for 2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol?
The canonical SMILES for 2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol is OCCNCCCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol?
The InChIKey is YVVSSMBATGWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c17-16-3-2-14-15(21-16)8-12(9-19-14)13-10-20-22(11-13)6-1-4-18-5-7-23/h2-3,8-11,18,23H,1,4-7H2.
What are the key properties of 2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol?
2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol has a molecular weight of 331.81 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propylamino]ethanol is sourced from PubChem (CID 90288794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).