[1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone

C23H32FN5O2 — CID 137490307

IUPAC[1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2ccc(NCCC(F)CCN3CC(C(=O)N4CCOCC4)C3)cc2)cn1
InChIInChI=1S/C23H32FN5O2/c1-27-15-19(14-26-27)18-2-4-22(5-3-18)25-8-6-21(24)7-9-28-16-20(17-28)23(30)29-10-12-31-13-11-29/h2-5,14-15,20-21,25H,6-13,16-17H2,1H3
InChIKeyAMZXFJUAZMRMDP-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.41
Rot. Bonds9

About [1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone

[1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 137490307) has the molecular formula C23H32FN5O2 and a molecular weight of 429.54 g/mol. Its IUPAC name is [1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone
PubChem CID137490307
Molecular FormulaC23H32FN5O2
Molecular Weight429.54 g/mol
Exact Mass429.25
IUPAC Name[1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1cc(-c2ccc(NCCC(F)CCN3CC(C(=O)N4CCOCC4)C3)cc2)cn1
InChIInChI=1S/C23H32FN5O2/c1-27-15-19(14-26-27)18-2-4-22(5-3-18)25-8-6-21(24)7-9-28-16-20(17-28)23(30)29-10-12-31-13-11-29/h2-5,14-15,20-21,25H,6-13,16-17H2,1H3
InChIKeyAMZXFJUAZMRMDP-UHFFFAOYSA-N
XLogP2.41
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-4-(cyclopropanecarbonyl)-2-methyl-6-[1-(oxetan-3-yl)pyrazol-4-yl]-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118078883
1-[(2S)-6-[1-(azetidin-3-yl)pyrazol-4-yl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079235
(E)-3-[5-fluoro-4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568856
N-(4-isopropylphenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24793068
N-(4-isopropylphenyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinamine
CID 24817215
N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24817692
N-[2-(4-methylpiperazin-1-yl)-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 127047791
US11370784, Example 5
CID 134418892
US11319299, Example 717
CID 137377608
US11319299, Example 122
CID 138551366
US11319299, Example 715
CID 138551517
US11319299, Example 714
CID 164608237

Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone (CID 137490307) is [1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone is Cn1cc(-c2ccc(NCCC(F)CCN3CC(C(=O)N4CCOCC4)C3)cc2)cn1.
What is the InChIKey of [1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is AMZXFJUAZMRMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O2/c1-27-15-19(14-26-27)18-2-4-22(5-3-18)25-8-6-21(24)7-9-28-16-20(17-28)23(30)29-10-12-31-13-11-29/h2-5,14-15,20-21,25H,6-13,16-17H2,1H3.
What are the key properties of [1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone?
[1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 429.54 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-fluoro-5-[4-(1-methylpyrazol-4-yl)anilino]pentyl]azetidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 137490307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).