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

C17H18ClFN6O — CID 67455180

IUPAC(2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
SMILESCc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cc3)c(N)cc2Cl)n[nH]1
InChIInChI=1S/C17H18ClFN6O/c1-9-6-15(25-24-9)22-16-12(18)7-13(20)17(23-16)21-14(8-26)10-2-4-11(19)5-3-10/h2-7,14,26H,8,20H2,1H3,(H3,21,22,23,24,25)/t14-/m0/s1
InChIKeyNEQJTCYXNMKBQZ-AWEZNQCLSA-N
MW376.82 g/mol
LogP3.38
Rot. Bonds6

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

(2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol (PubChem CID 67455180) has the molecular formula C17H18ClFN6O and a molecular weight of 376.82 g/mol. Its IUPAC name is (2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
PubChem CID67455180
Molecular FormulaC17H18ClFN6O
Molecular Weight376.82 g/mol
Exact Mass376.12
IUPAC Name(2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
SMILESCc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cc3)c(N)cc2Cl)n[nH]1
InChIInChI=1S/C17H18ClFN6O/c1-9-6-15(25-24-9)22-16-12(18)7-13(20)17(23-16)21-14(8-26)10-2-4-11(19)5-3-10/h2-7,14,26H,8,20H2,1H3,(H3,21,22,23,24,25)/t14-/m0/s1
InChIKeyNEQJTCYXNMKBQZ-AWEZNQCLSA-N
XLogP3.38
TPSA111.88 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 67456086
2-(4-fluorophenyl)-2-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]ethanol
CID 69150495
2-[[6-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-5-chloro-3-nitro-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 77295150
(2R)-2-(4-fluorophenyl)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-nitropyrimidin-2-yl]amino]ethanol
CID 69150463
2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(4-fluorophenyl)ethanol
CID 89399641
(2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(4-fluorophenyl)ethanol
CID 86622412
2-[6-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-(4-fluorophenyl)ethanol
CID 91006465
2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol
CID 58494447
(2R)-2-[[5-chloro-4-[(3-ethoxy-1H-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 68898915
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol?
The IUPAC name of (2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol (CID 67455180) is (2R)-2-[[3-amino-5-chloro-6-[(5-methyl-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-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol?
The canonical SMILES for (2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol is Cc1cc(Nc2nc(N[C@@H](CO)c3ccc(F)cc3)c(N)cc2Cl)n[nH]1.
What is the InChIKey of (2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol?
The InChIKey is NEQJTCYXNMKBQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18ClFN6O/c1-9-6-15(25-24-9)22-16-12(18)7-13(20)17(23-16)21-14(8-26)10-2-4-11(19)5-3-10/h2-7,14,26H,8,20H2,1H3,(H3,21,22,23,24,25)/t14-/m0/s1.
What are the key properties of (2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol?
(2R)-2-[[3-amino-5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol has a molecular weight of 376.82 g/mol, XLogP of 3.38, 6 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-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 67455180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).