4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol

C26H22ClFN4O2 — CID 137046164

IUPAC4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol
SMILESOCC(Nc1cnc(-c2cc(Cl)ccc2O)c(-c2ccc3c(c2)C(F)NN3)c1)c1ccccc1
InChIInChI=1S/C26H22ClFN4O2/c27-17-7-9-24(34)21(11-17)25-19(16-6-8-22-20(10-16)26(28)32-31-22)12-18(13-29-25)30-23(14-33)15-4-2-1-3-5-15/h1-13,23,26,30-34H,14H2
InChIKeyKOCFSQXTVRQNSP-UHFFFAOYSA-N
MW476.94 g/mol
LogP5.82
Rot. Bonds6

About 4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol

4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol (PubChem CID 137046164) has the molecular formula C26H22ClFN4O2 and a molecular weight of 476.94 g/mol. Its IUPAC name is 4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol
PubChem CID137046164
Molecular FormulaC26H22ClFN4O2
Molecular Weight476.94 g/mol
Exact Mass476.14
IUPAC Name4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol
SMILESOCC(Nc1cnc(-c2cc(Cl)ccc2O)c(-c2ccc3c(c2)C(F)NN3)c1)c1ccccc1
InChIInChI=1S/C26H22ClFN4O2/c27-17-7-9-24(34)21(11-17)25-19(16-6-8-22-20(10-16)26(28)32-31-22)12-18(13-29-25)30-23(14-33)15-4-2-1-3-5-15/h1-13,23,26,30-34H,14H2
InChIKeyKOCFSQXTVRQNSP-UHFFFAOYSA-N
XLogP5.82
TPSA89.44 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.94
LogP ≤ 55.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol 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-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 141465418
2-[[5-(4-amino-3-ethanimidoylphenyl)-6-chloro-3-pyridinyl]amino]-2-phenylethanol
CID 145192842
2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123984384
2-[3-(4-amino-3-ethanimidoylphenyl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]benzamide
CID 145192856
2-[[5-(4-amino-3-ethanimidoylphenyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-2-phenylethanol
CID 145192838
(2R)-2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol
CID 70208992
2-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]-2-phenylethanol
CID 22953659
2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol
CID 103721804
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123610587
4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693464
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol
CID 61048365

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol?
The IUPAC name of 4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol (CID 137046164) is 4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol.
What is the SMILES notation for 4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol?
The canonical SMILES for 4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol is OCC(Nc1cnc(-c2cc(Cl)ccc2O)c(-c2ccc3c(c2)C(F)NN3)c1)c1ccccc1.
What is the InChIKey of 4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol?
The InChIKey is KOCFSQXTVRQNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O2/c27-17-7-9-24(34)21(11-17)25-19(16-6-8-22-20(10-16)26(28)32-31-22)12-18(13-29-25)30-23(14-33)15-4-2-1-3-5-15/h1-13,23,26,30-34H,14H2.
What are the key properties of 4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol?
4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol has a molecular weight of 476.94 g/mol, XLogP of 5.82, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol is sourced from PubChem (CID 137046164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).