4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C20H17ClN6O — CID 118869563

IUPAC4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESClc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)ccn1
InChIInChI=1S/C20H17ClN6O/c21-17-11-13(1-4-22-17)15-12-18(27-7-9-28-10-8-27)25-19-14(15)2-5-23-20(19)16-3-6-24-26-16/h1-6,11-12H,7-10H2,(H,24,26)
InChIKeyYJJDFDXZOUGADI-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.57
Rot. Bonds3

About 4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869563) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869563
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESClc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)ccn1
InChIInChI=1S/C20H17ClN6O/c21-17-11-13(1-4-22-17)15-12-18(27-7-9-28-10-8-27)25-19-14(15)2-5-23-20(19)16-3-6-24-26-16/h1-6,11-12H,7-10H2,(H,24,26)
InChIKeyYJJDFDXZOUGADI-UHFFFAOYSA-N
XLogP3.57
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.57
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 4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869563) is 4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is Clc1cc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)ccn1.
What is the InChIKey of 4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is YJJDFDXZOUGADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c21-17-11-13(1-4-22-17)15-12-18(27-7-9-28-10-8-27)25-19-14(15)2-5-23-20(19)16-3-6-24-26-16/h1-6,11-12H,7-10H2,(H,24,26).
What are the key properties of 4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 392.85 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).