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

C17H18ClN5O — CID 90287792

IUPAC4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine
SMILESClc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)cc2n1
InChIInChI=1S/C17H18ClN5O/c18-17-2-1-15-16(21-17)9-13(10-19-15)14-11-20-23(12-14)4-3-22-5-7-24-8-6-22/h1-2,9-12H,3-8H2
InChIKeyPTZRXBVANIJQGB-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.48
Rot. Bonds4

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

4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine (PubChem CID 90287792) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine
PubChem CID90287792
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine
SMILESClc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)cc2n1
InChIInChI=1S/C17H18ClN5O/c18-17-2-1-15-16(21-17)9-13(10-19-15)14-11-20-23(12-14)4-3-22-5-7-24-8-6-22/h1-2,9-12H,3-8H2
InChIKeyPTZRXBVANIJQGB-UHFFFAOYSA-N
XLogP2.48
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.48
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

TREM2 agonist-2
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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
CID 162760988

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine (CID 90287792) is 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine is Clc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)cc2n1.
What is the InChIKey of 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine?
The InChIKey is PTZRXBVANIJQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c18-17-2-1-15-16(21-17)9-13(10-19-15)14-11-20-23(12-14)4-3-22-5-7-24-8-6-22/h1-2,9-12H,3-8H2.
What are the key properties of 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine has a molecular weight of 343.82 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 90287792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).