5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol

C16H15FN4O — CID 171807249

IUPAC5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
SMILESCn1ccc(-c2cccnc2NCc2ccc(F)cc2O)n1
InChIInChI=1S/C16H15FN4O/c1-21-8-6-14(20-21)13-3-2-7-18-16(13)19-10-11-4-5-12(17)9-15(11)22/h2-9,22H,10H2,1H3,(H,18,19)
InChIKeyIEPDKULOXZZPRN-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.94
Rot. Bonds4

About 5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol

5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol (PubChem CID 171807249) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
PubChem CID171807249
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
SMILESCn1ccc(-c2cccnc2NCc2ccc(F)cc2O)n1
InChIInChI=1S/C16H15FN4O/c1-21-8-6-14(20-21)13-3-2-7-18-16(13)19-10-11-4-5-12(17)9-15(11)22/h2-9,22H,10H2,1H3,(H,18,19)
InChIKeyIEPDKULOXZZPRN-UHFFFAOYSA-N
XLogP2.94
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol with MolForge

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Related Compounds

Crt 0066101
CID 136189563
5-Fluoro-2-({[3-(Pyrimidin-2-Yl)pyridin-2-Yl]amino}methyl)phenol
CID 72376515
2-{[(4-Methyl-2-pyridinyl)amino]methyl}phenol
CID 572802
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
2-[3-(3-Hydroxy-5-methylphenyl)-4-[6-(2-methylpropylamino)-2-pyridin-3-ylpyrimidin-4-yl]pyrazol-1-yl]acetonitrile
CID 118726566
SMARCA2/4-ligand-6
CID 137029367
2-(Pyridin-2-ylaminomethyl)-phenol
CID 950738
CRT0066101 Dihydrochloride
CID 136664697
2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol
CID 169452184
5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452185
5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452188

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol?
The IUPAC name of 5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol (CID 171807249) is 5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol is Cn1ccc(-c2cccnc2NCc2ccc(F)cc2O)n1.
What is the InChIKey of 5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol?
The InChIKey is IEPDKULOXZZPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-21-8-6-14(20-21)13-3-2-7-18-16(13)19-10-11-4-5-12(17)9-15(11)22/h2-9,22H,10H2,1H3,(H,18,19).
What are the key properties of 5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol?
5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol has a molecular weight of 298.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 171807249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).