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

C18H20ClN5O — CID 90288813

IUPAC2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(n2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1
InChIInChI=1S/C18H20ClN5O/c19-18-2-1-16-17(22-18)9-13(10-20-16)14-11-21-24(12-14)15-3-5-23(6-4-15)7-8-25/h1-2,9-12,15,25H,3-8H2
InChIKeyJVWQZMIWSOQHSP-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.78
Rot. Bonds4

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

2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol (PubChem CID 90288813) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol
PubChem CID90288813
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(n2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1
InChIInChI=1S/C18H20ClN5O/c19-18-2-1-16-17(22-18)9-13(10-20-16)14-11-21-24(12-14)15-3-5-23(6-4-15)7-8-25/h1-2,9-12,15,25H,3-8H2
InChIKeyJVWQZMIWSOQHSP-UHFFFAOYSA-N
XLogP2.78
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol (CID 90288813) is 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol is OCCN1CCC(n2cc(-c3cnc4ccc(Cl)nc4c3)cn2)CC1.
What is the InChIKey of 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The InChIKey is JVWQZMIWSOQHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c19-18-2-1-16-17(22-18)9-13(10-20-16)14-11-21-24(12-14)15-3-5-23(6-4-15)7-8-25/h1-2,9-12,15,25H,3-8H2.
What are the key properties of 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol?
2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol has a molecular weight of 357.85 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 90288813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).