(2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol

C20H18N4O — CID 75202254

IUPAC(2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
SMILESOC[C@H](Nc1cncc(-c2ccc3[nH]ncc3c2)c1)c1ccccc1
InChIInChI=1S/C20H18N4O/c25-13-20(14-4-2-1-3-5-14)23-18-9-16(10-21-12-18)15-6-7-19-17(8-15)11-22-24-19/h1-12,20,23,25H,13H2,(H,22,24)/t20-/m0/s1
InChIKeyVFKCKMKPKIUZOF-FQEVSTJZSA-N
MW330.39 g/mol
LogP3.77
Rot. Bonds5

About (2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol

(2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol (PubChem CID 75202254) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is (2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
PubChem CID75202254
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name(2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
SMILESOC[C@H](Nc1cncc(-c2ccc3[nH]ncc3c2)c1)c1ccccc1
InChIInChI=1S/C20H18N4O/c25-13-20(14-4-2-1-3-5-14)23-18-9-16(10-21-12-18)15-6-7-19-17(8-15)11-22-24-19/h1-12,20,23,25H,13H2,(H,22,24)/t20-/m0/s1
InChIKeyVFKCKMKPKIUZOF-FQEVSTJZSA-N
XLogP3.77
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol (CID 75202254) is (2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol is OC[C@H](Nc1cncc(-c2ccc3[nH]ncc3c2)c1)c1ccccc1.
What is the InChIKey of (2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
The InChIKey is VFKCKMKPKIUZOF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18N4O/c25-13-20(14-4-2-1-3-5-14)23-18-9-16(10-21-12-18)15-6-7-19-17(8-15)11-22-24-19/h1-12,20,23,25H,13H2,(H,22,24)/t20-/m0/s1.
What are the key properties of (2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol?
(2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol has a molecular weight of 330.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(1H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol is sourced from PubChem (CID 75202254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).