4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine

C18H20ClN5O — CID 90287821

IUPAC4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine
SMILESClc1ccc2ncc(-c3cnn(CCCN4CCOCC4)c3)cc2n1
InChIInChI=1S/C18H20ClN5O/c19-18-3-2-16-17(22-18)10-14(11-20-16)15-12-21-24(13-15)5-1-4-23-6-8-25-9-7-23/h2-3,10-13H,1,4-9H2
InChIKeyQUZJOLCSCDTZHT-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.87
Rot. Bonds5

About 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine

4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine (PubChem CID 90287821) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine
PubChem CID90287821
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine
SMILESClc1ccc2ncc(-c3cnn(CCCN4CCOCC4)c3)cc2n1
InChIInChI=1S/C18H20ClN5O/c19-18-3-2-16-17(22-18)10-14(11-20-16)15-12-21-24(13-15)5-1-4-23-6-8-25-9-7-23/h2-3,10-13H,1,4-9H2
InChIKeyQUZJOLCSCDTZHT-UHFFFAOYSA-N
XLogP2.87
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Dihydropyrrolopyrazole, 7b
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3-(2,4-Dichlorophenyl)-9-(1-methoxybutan-2-yl)-6-methyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 9887524
(10S)-3-(2,4-dichlorophenyl)-10-ethyl-9-(2-methoxyethyl)-6-methyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 11598824
7-chloro-N-[[1-(3-morpholin-4-ylpropyl)triazol-4-yl]methyl]quinolin-4-amine
CID 122183487
2-[4-[[1-[4-[[6-chloro-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-yl]amino]butyl]triazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 162644174
6-chloro-N-[4-[4-(morpholin-4-ylmethyl)triazol-1-yl]butyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
CID 162672058
4-(5-chloro-2-fluoropyridin-3-yl)-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 122585583
US11458138, Example 286
CID 135368718
US20230339900, Example 112
CID 162760848
US20230339900, Example 152
CID 162760987
US20230339900, Example 127
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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine (CID 90287821) is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine is Clc1ccc2ncc(-c3cnn(CCCN4CCOCC4)c3)cc2n1.
What is the InChIKey of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine?
The InChIKey is QUZJOLCSCDTZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c19-18-3-2-16-17(22-18)10-14(11-20-16)15-12-21-24(13-15)5-1-4-23-6-8-25-9-7-23/h2-3,10-13H,1,4-9H2.
What are the key properties of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine?
4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine has a molecular weight of 357.85 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]propyl]morpholine is sourced from PubChem (CID 90287821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).