(2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol

C19H20ClFN6O — CID 67456086

IUPAC(2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
SMILESNc1cc(Cl)c(Nc2cc(C3CC3)[nH]n2)nc1N[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C19H20ClFN6O/c20-13-7-14(22)19(23-16(9-28)11-3-5-12(21)6-4-11)25-18(13)24-17-8-15(26-27-17)10-1-2-10/h3-8,10,16,28H,1-2,9,22H2,(H3,23,24,25,26,27)/t16-/m0/s1
InChIKeyVDZCYRJFIFGMDX-INIZCTEOSA-N
MW402.86 g/mol
LogP3.95
Rot. Bonds7

About (2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol

(2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol (PubChem CID 67456086) has the molecular formula C19H20ClFN6O and a molecular weight of 402.86 g/mol. Its IUPAC name is (2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
PubChem CID67456086
Molecular FormulaC19H20ClFN6O
Molecular Weight402.86 g/mol
Exact Mass402.14
IUPAC Name(2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
SMILESNc1cc(Cl)c(Nc2cc(C3CC3)[nH]n2)nc1N[C@@H](CO)c1ccc(F)cc1
InChIInChI=1S/C19H20ClFN6O/c20-13-7-14(22)19(23-16(9-28)11-3-5-12(21)6-4-11)25-18(13)24-17-8-15(26-27-17)10-1-2-10/h3-8,10,16,28H,1-2,9,22H2,(H3,23,24,25,26,27)/t16-/m0/s1
InChIKeyVDZCYRJFIFGMDX-INIZCTEOSA-N
XLogP3.95
TPSA111.88 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol with MolForge

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Related Compounds

(2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 67455180
2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 161194042
3-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrimidin-4-yl]amino]propan-1-ol
CID 68901137
(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-(4-fluorophenyl)ethanol
CID 68900059
5-amino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 91600745
2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-thiophen-2-ylethanol
CID 68898848
(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,4-d]pyrimidin-2-yl]amino]-2-phenylethanol
CID 68936759
2-[[6-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloro-3-nitro-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 77295150
2-[[5-amino-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)propane-1,3-diol
CID 67454133
7-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-(4-fluorophenyl)ethyl]quinazoline-2,4-diamine
CID 68898803
(2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol
CID 68524394
2-amino-N-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-pyridinyl]methyl]-3-methylbutanamide
CID 67456829

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol?
The IUPAC name of (2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol (CID 67456086) is (2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for (2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol?
The canonical SMILES for (2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol is Nc1cc(Cl)c(Nc2cc(C3CC3)[nH]n2)nc1N[C@@H](CO)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol?
The InChIKey is VDZCYRJFIFGMDX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20ClFN6O/c20-13-7-14(22)19(23-16(9-28)11-3-5-12(21)6-4-11)25-18(13)24-17-8-15(26-27-17)10-1-2-10/h3-8,10,16,28H,1-2,9,22H2,(H3,23,24,25,26,27)/t16-/m0/s1.
What are the key properties of (2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol?
(2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol has a molecular weight of 402.86 g/mol, XLogP of 3.95, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 67456086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).