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

C21H18ClFN4O — CID 164623711

IUPAC(2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
SMILESCc1[nH]nc2ccc(-c3cc(N[C@@H](CO)c4ccc(F)cc4)cnc3Cl)cc12
InChIInChI=1S/C21H18ClFN4O/c1-12-17-8-14(4-7-19(17)27-26-12)18-9-16(10-24-21(18)22)25-20(11-28)13-2-5-15(23)6-3-13/h2-10,20,25,28H,11H2,1H3,(H,26,27)/t20-/m0/s1
InChIKeyUAPKVIHHKBGAIH-FQEVSTJZSA-N
MW396.85 g/mol
LogP4.87
Rot. Bonds5

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

(2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol (PubChem CID 164623711) has the molecular formula C21H18ClFN4O and a molecular weight of 396.85 g/mol. Its IUPAC name is (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
PubChem CID164623711
Molecular FormulaC21H18ClFN4O
Molecular Weight396.85 g/mol
Exact Mass396.12
IUPAC Name(2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
SMILESCc1[nH]nc2ccc(-c3cc(N[C@@H](CO)c4ccc(F)cc4)cnc3Cl)cc12
InChIInChI=1S/C21H18ClFN4O/c1-12-17-8-14(4-7-19(17)27-26-12)18-9-16(10-24-21(18)22)25-20(11-28)13-2-5-15(23)6-3-13/h2-10,20,25,28H,11H2,1H3,(H,26,27)/t20-/m0/s1
InChIKeyUAPKVIHHKBGAIH-FQEVSTJZSA-N
XLogP4.87
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.87
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol?
The IUPAC name of (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol (CID 164623711) is (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol?
The canonical SMILES for (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol is Cc1[nH]nc2ccc(-c3cc(N[C@@H](CO)c4ccc(F)cc4)cnc3Cl)cc12.
What is the InChIKey of (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol?
The InChIKey is UAPKVIHHKBGAIH-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H18ClFN4O/c1-12-17-8-14(4-7-19(17)27-26-12)18-9-16(10-24-21(18)22)25-20(11-28)13-2-5-15(23)6-3-13/h2-10,20,25,28H,11H2,1H3,(H,26,27)/t20-/m0/s1.
What are the key properties of (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol?
(2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol has a molecular weight of 396.85 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 164623711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).