2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol

C20H16ClFN4O — CID 141465418

IUPAC2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
SMILESOCC(Nc1cnc(Cl)c(-c2ccc3n[nH]c(F)c3c2)c1)c1ccccc1
InChIInChI=1S/C20H16ClFN4O/c21-19-15(13-6-7-17-16(8-13)20(22)26-25-17)9-14(10-23-19)24-18(11-27)12-4-2-1-3-5-12/h1-10,18,24,27H,11H2,(H,25,26)
InChIKeyVVNZUVQWLJWJHP-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.56
Rot. Bonds5

About 2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol

2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol (PubChem CID 141465418) has the molecular formula C20H16ClFN4O and a molecular weight of 382.83 g/mol. Its IUPAC name is 2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
PubChem CID141465418
Molecular FormulaC20H16ClFN4O
Molecular Weight382.83 g/mol
Exact Mass382.10
IUPAC Name2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
SMILESOCC(Nc1cnc(Cl)c(-c2ccc3n[nH]c(F)c3c2)c1)c1ccccc1
InChIInChI=1S/C20H16ClFN4O/c21-19-15(13-6-7-17-16(8-13)20(22)26-25-17)9-14(10-23-19)24-18(11-27)12-4-2-1-3-5-12/h1-10,18,24,27H,11H2,(H,25,26)
InChIKeyVVNZUVQWLJWJHP-UHFFFAOYSA-N
XLogP4.56
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(4-amino-3-ethanimidoylphenyl)-6-chloro-3-pyridinyl]amino]-2-phenylethanol
CID 145192842
2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol
CID 90220920
4-chloro-2-[3-(3-fluoro-2,3-dihydro-1H-indazol-5-yl)-5-[(2-hydroxy-1-phenylethyl)amino]-2-pyridinyl]phenol
CID 137046164
(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-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220836
2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol
CID 103721804
2-phenyl-2-[[6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]ethanol
CID 175604579
2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123610587
2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123984384
2-[[5-(4-amino-3-ethanimidoylphenyl)-6-[4-fluoro-2-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-2-phenylethanol
CID 145192838
(2S)-2-[[6-(6-fluoro-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 148887710

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
The IUPAC name of 2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol (CID 141465418) is 2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol is OCC(Nc1cnc(Cl)c(-c2ccc3n[nH]c(F)c3c2)c1)c1ccccc1.
What is the InChIKey of 2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
The InChIKey is VVNZUVQWLJWJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O/c21-19-15(13-6-7-17-16(8-13)20(22)26-25-17)9-14(10-23-19)24-18(11-27)12-4-2-1-3-5-12/h1-10,18,24,27H,11H2,(H,25,26).
What are the key properties of 2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol has a molecular weight of 382.83 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol is sourced from PubChem (CID 141465418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).