2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide

C26H33Cl2FN6O2 — CID 91239845

IUPAC2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide
SMILESCc1nn(C(C)(C)C(=O)NCCCN(C)C)cc1-c1cnc(N)c(OCCc2c(Cl)ccc(F)c2Cl)c1
InChIInChI=1S/C26H33Cl2FN6O2/c1-16-19(15-35(33-16)26(2,3)25(36)31-10-6-11-34(4)5)17-13-22(24(30)32-14-17)37-12-9-18-20(27)7-8-21(29)23(18)28/h7-8,13-15H,6,9-12H2,1-5H3,(H2,30,32)(H,31,36)
InChIKeyQGRSUVPOFBIJID-UHFFFAOYSA-N
MW551.49 g/mol
LogP4.71
Rot. Bonds11

About 2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide

2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide (PubChem CID 91239845) has the molecular formula C26H33Cl2FN6O2 and a molecular weight of 551.49 g/mol. Its IUPAC name is 2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide
PubChem CID91239845
Molecular FormulaC26H33Cl2FN6O2
Molecular Weight551.49 g/mol
Exact Mass550.20
IUPAC Name2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide
SMILESCc1nn(C(C)(C)C(=O)NCCCN(C)C)cc1-c1cnc(N)c(OCCc2c(Cl)ccc(F)c2Cl)c1
InChIInChI=1S/C26H33Cl2FN6O2/c1-16-19(15-35(33-16)26(2,3)25(36)31-10-6-11-34(4)5)17-13-22(24(30)32-14-17)37-12-9-18-20(27)7-8-21(29)23(18)28/h7-8,13-15H,6,9-12H2,1-5H3,(H2,30,32)(H,31,36)
InChIKeyQGRSUVPOFBIJID-UHFFFAOYSA-N
XLogP4.71
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide 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

Crizotinib
CID 11626560
3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine
CID 11597571
(10r)-7-Amino-12-Fluoro-1,3,10,16-Tetramethyl-16,17-Dihydro-1h-8,4-(Metheno)pyrazolo[4,3-H][2,5,11]benzoxadiazacyclotetradecin-15(10h)-One
CID 90644193
(S)-Crizotinib
CID 56671814
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 73386634
19-Amino-13-fluoro-3,5,8-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one
CID 71731827
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-1-ium-4-ylpyrazol-4-yl)pyridin-2-amine
CID 72199381
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-3-yl)pyridin-2-amine
CID 76973766
5-[1-(Azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 11575401
4-(4-{6-Amino-5-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-3-yl}-pyrazol-1-ylmethyl)-tetrahydro-pyran-4-ol
CID 11576617
3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-[1-(tetrahydro-pyran-4-yl)-1H-pyrazol-4-yl]-pyridin-2-ylamine
CID 11612136
3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 11625675

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The IUPAC name of 2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide (CID 91239845) is 2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide is Cc1nn(C(C)(C)C(=O)NCCCN(C)C)cc1-c1cnc(N)c(OCCc2c(Cl)ccc(F)c2Cl)c1.
What is the InChIKey of 2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
The InChIKey is QGRSUVPOFBIJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33Cl2FN6O2/c1-16-19(15-35(33-16)26(2,3)25(36)31-10-6-11-34(4)5)17-13-22(24(30)32-14-17)37-12-9-18-20(27)7-8-21(29)23(18)28/h7-8,13-15H,6,9-12H2,1-5H3,(H2,30,32)(H,31,36).
What are the key properties of 2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide?
2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide has a molecular weight of 551.49 g/mol, XLogP of 4.71, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-3-methylpyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 91239845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).