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

C21H19ClN4O — CID 162640599

IUPAC(2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
SMILESCc1[nH]nc2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3Cl)cc12
InChIInChI=1S/C21H19ClN4O/c1-13-17-9-15(7-8-19(17)26-25-13)18-10-16(11-23-21(18)22)24-20(12-27)14-5-3-2-4-6-14/h2-11,20,24,27H,12H2,1H3,(H,25,26)/t20-/m0/s1
InChIKeySHDGEOLPEYTGCG-FQEVSTJZSA-N
MW378.86 g/mol
LogP4.73
Rot. Bonds5

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

(2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol (PubChem CID 162640599) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
PubChem CID162640599
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name(2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
SMILESCc1[nH]nc2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3Cl)cc12
InChIInChI=1S/C21H19ClN4O/c1-13-17-9-15(7-8-19(17)26-25-13)18-10-16(11-23-21(18)22)24-20(12-27)14-5-3-2-4-6-14/h2-11,20,24,27H,12H2,1H3,(H,25,26)/t20-/m0/s1
InChIKeySHDGEOLPEYTGCG-FQEVSTJZSA-N
XLogP4.73
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.73
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-phenylethanol?
The IUPAC name of (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol (CID 162640599) is (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol is Cc1[nH]nc2ccc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3Cl)cc12.
What is the InChIKey of (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
The InChIKey is SHDGEOLPEYTGCG-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-13-17-9-15(7-8-19(17)26-25-13)18-10-16(11-23-21(18)22)24-20(12-27)14-5-3-2-4-6-14/h2-11,20,24,27H,12H2,1H3,(H,25,26)/t20-/m0/s1.
What are the key properties of (2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
(2R)-2-[[6-chloro-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol has a molecular weight of 378.86 g/mol, XLogP of 4.73, 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-phenylethanol is sourced from PubChem (CID 162640599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).