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

C18H18ClF2N5O — CID 90289032

IUPAC4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine
SMILESFC(F)(CN1CCOCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C18H18ClF2N5O/c19-17-2-1-15-16(24-17)7-13(8-22-15)14-9-23-26(10-14)12-18(20,21)11-25-3-5-27-6-4-25/h1-2,7-10H,3-6,11-12H2
InChIKeyVPNQXVZDXAUQFD-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.11
Rot. Bonds5

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

4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine (PubChem CID 90289032) has the molecular formula C18H18ClF2N5O and a molecular weight of 393.83 g/mol. Its IUPAC name is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine
PubChem CID90289032
Molecular FormulaC18H18ClF2N5O
Molecular Weight393.83 g/mol
Exact Mass393.12
IUPAC Name4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine
SMILESFC(F)(CN1CCOCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C18H18ClF2N5O/c19-17-2-1-15-16(24-17)7-13(8-22-15)14-9-23-26(10-14)12-18(20,21)11-25-3-5-27-6-4-25/h1-2,7-10H,3-6,11-12H2
InChIKeyVPNQXVZDXAUQFD-UHFFFAOYSA-N
XLogP3.11
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine with MolForge

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Related Compounds

TREM2 agonist-2
CID 165412595
(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
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
3-Chloro-1-(pyridazin-3-ylmethyl)-6-[3-
CID 124176467
US20230339900, Example 112
CID 162760848
US20230339900, Example 152
CID 162760987
US20230339900, Example 127
CID 162760988
TREM2 agonist C1
CID 157044517
7-chloro-N-[[1-(2-morpholin-4-ylethyl)triazol-4-yl]methyl]quinolin-4-amine
CID 122183486
6-chloro-N-[2-[4-(morpholin-4-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
CID 162646285

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine?
The IUPAC name of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine (CID 90289032) is 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine.
What is the SMILES notation for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine?
The canonical SMILES for 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine is FC(F)(CN1CCOCC1)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine?
The InChIKey is VPNQXVZDXAUQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2N5O/c19-17-2-1-15-16(24-17)7-13(8-22-15)14-9-23-26(10-14)12-18(20,21)11-25-3-5-27-6-4-25/h1-2,7-10H,3-6,11-12H2.
What are the key properties of 4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine?
4-[3-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]-2,2-difluoropropyl]morpholine has a molecular weight of 393.83 g/mol, XLogP of 3.11, 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]-2,2-difluoropropyl]morpholine is sourced from PubChem (CID 90289032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).