2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline

C19H18Cl2N6O — CID 164565610

IUPAC2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline
SMILES[H]/N=C(\c1cnn(C2CNC2)c1)c1cc(OCc2c(Cl)cncc2Cl)ccc1N
InChIInChI=1S/C19H18Cl2N6O/c20-16-7-25-8-17(21)15(16)10-28-13-1-2-18(22)14(3-13)19(23)11-4-26-27(9-11)12-5-24-6-12/h1-4,7-9,12,23-24H,5-6,10,22H2/b23-19+
InChIKeyRIVNXOIACQYOBT-FCDQGJHFSA-N
MW417.30 g/mol
LogP3.31
Rot. Bonds6

About 2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline

2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline (PubChem CID 164565610) has the molecular formula C19H18Cl2N6O and a molecular weight of 417.30 g/mol. Its IUPAC name is 2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline
PubChem CID164565610
Molecular FormulaC19H18Cl2N6O
Molecular Weight417.30 g/mol
Exact Mass416.09
IUPAC Name2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline
SMILES[H]/N=C(\c1cnn(C2CNC2)c1)c1cc(OCc2c(Cl)cncc2Cl)ccc1N
InChIInChI=1S/C19H18Cl2N6O/c20-16-7-25-8-17(21)15(16)10-28-13-1-2-18(22)14(3-13)19(23)11-4-26-27(9-11)12-5-24-6-12/h1-4,7-9,12,23-24H,5-6,10,22H2/b23-19+
InChIKeyRIVNXOIACQYOBT-FCDQGJHFSA-N
XLogP3.31
TPSA101.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline 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

2-[1-(1-cyclobutylpiperidin-4-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-2-methyl-4-pyridinyl)methoxy]aniline
CID 164566011
2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline
CID 164566173
5-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 166462316
4-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-2-[1-(1-methylpiperidin-4-yl)pyrazole-4-carboximidoyl]aniline
CID 167155955
5-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]-2-(1-ethylpiperidin-4-yl)oxypyridine-3-carbonitrile
CID 166462313
4-[(3,5-difluorophenyl)methoxy]-2-[1-(1,1-dioxothian-4-yl)pyrazole-4-carboximidoyl]aniline
CID 164565657
5-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]-2-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 164565676
5-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]-2-[3-(cyclobutylamino)-3-methylazetidin-1-yl]pyridine-3-carbonitrile
CID 170708728
5-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]-N-methylpyridin-2-amine;cyclopropanecarbaldehyde
CID 166462417
5-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]-2-[3-methyl-3-(propan-2-ylamino)azetidin-1-yl]pyridine-3-carbonitrile
CID 170709071
4-[5-[2-amino-5-[(3,5-dichloro-4-pyridinyl)methoxy]benzenecarboximidoyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 164565855
4-[(S)-amino-(3,5-dichloro-2-methyl-4-pyridinyl)methoxy]-2-(1-piperidin-4-ylpyrazole-4-carboximidoyl)aniline
CID 164566138

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline?
The IUPAC name of 2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline (CID 164565610) is 2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline.
What is the SMILES notation for 2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline?
The canonical SMILES for 2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline is [H]/N=C(\c1cnn(C2CNC2)c1)c1cc(OCc2c(Cl)cncc2Cl)ccc1N.
What is the InChIKey of 2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline?
The InChIKey is RIVNXOIACQYOBT-FCDQGJHFSA-N. The full InChI is InChI=1S/C19H18Cl2N6O/c20-16-7-25-8-17(21)15(16)10-28-13-1-2-18(22)14(3-13)19(23)11-4-26-27(9-11)12-5-24-6-12/h1-4,7-9,12,23-24H,5-6,10,22H2/b23-19+.
What are the key properties of 2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline?
2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline has a molecular weight of 417.30 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidin-3-yl)pyrazole-4-carboximidoyl]-4-[(3,5-dichloro-4-pyridinyl)methoxy]aniline is sourced from PubChem (CID 164565610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).