2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol

C22H22FN5O — CID 90220920

IUPAC2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol
SMILESOCCNCC(Nc1cncc(-c2ccc3n[nH]c(F)c3c2)c1)c1ccccc1
InChIInChI=1S/C22H22FN5O/c23-22-19-11-16(6-7-20(19)27-28-22)17-10-18(13-25-12-17)26-21(14-24-8-9-29)15-4-2-1-3-5-15/h1-7,10-13,21,24,26,29H,8-9,14H2,(H,27,28)
InChIKeyRPWPZQWBUFBSCQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.50
Rot. Bonds8

About 2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol

2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol (PubChem CID 90220920) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol
PubChem CID90220920
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol
SMILESOCCNCC(Nc1cncc(-c2ccc3n[nH]c(F)c3c2)c1)c1ccccc1
InChIInChI=1S/C22H22FN5O/c23-22-19-11-16(6-7-20(19)27-28-22)17-10-18(13-25-12-17)26-21(14-24-8-9-29)15-4-2-1-3-5-15/h1-7,10-13,21,24,26,29H,8-9,14H2,(H,27,28)
InChIKeyRPWPZQWBUFBSCQ-UHFFFAOYSA-N
XLogP3.50
TPSA85.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]benzamide
CID 90221196
2-[[6-chloro-5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 141465418
2-[[5-(3-methylsulfanyl-1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220836
2-[[5-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123610587
2-[[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220993
5-[5-[(2-hydroxy-1-phenylethyl)amino]-3-pyridinyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 118378577
2-[[5-(3-chlorophenyl)-3-pyridinyl]amino]-2-phenylethanol
CID 123984384
2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol
CID 123630878
2-methoxy-4-[5-(1-phenylbutylamino)-3-pyridinyl]phenol
CID 11163875
3-methyl-1-[[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol
CID 137308959
N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137117152
5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 137088527

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol?
The IUPAC name of 2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol (CID 90220920) is 2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol.
What is the SMILES notation for 2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol?
The canonical SMILES for 2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol is OCCNCC(Nc1cncc(-c2ccc3n[nH]c(F)c3c2)c1)c1ccccc1.
What is the InChIKey of 2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol?
The InChIKey is RPWPZQWBUFBSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c23-22-19-11-16(6-7-20(19)27-28-22)17-10-18(13-25-12-17)26-21(14-24-8-9-29)15-4-2-1-3-5-15/h1-7,10-13,21,24,26,29H,8-9,14H2,(H,27,28).
What are the key properties of 2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol?
2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol has a molecular weight of 391.45 g/mol, XLogP of 3.50, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-(3-fluoro-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethyl]amino]ethanol is sourced from PubChem (CID 90220920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).