(1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol

C21H21N5O — CID 154826539

IUPAC(1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
SMILESC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc([C@H](C)O)n4)c3c2)n1
InChIInChI=1S/C21H21N5O/c1-13(22)17-5-3-7-19(24-17)15-9-10-16-12-23-26(20(16)11-15)21-8-4-6-18(25-21)14(2)27/h3-14,27H,22H2,1-2H3/t13-,14-/m0/s1
InChIKeyJMJVXDJNJSPXFY-KBPBESRZSA-N
MW359.43 g/mol
LogP3.56
Rot. Bonds4

About (1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol

(1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol (PubChem CID 154826539) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is (1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
PubChem CID154826539
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name(1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
SMILESC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc([C@H](C)O)n4)c3c2)n1
InChIInChI=1S/C21H21N5O/c1-13(22)17-5-3-7-19(24-17)15-9-10-16-12-23-26(20(16)11-15)21-8-4-6-18(25-21)14(2)27/h3-14,27H,22H2,1-2H3/t13-,14-/m0/s1
InChIKeyJMJVXDJNJSPXFY-KBPBESRZSA-N
XLogP3.56
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol (CID 154826539) is (1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol is C[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc([C@H](C)O)n4)c3c2)n1.
What is the InChIKey of (1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol?
The InChIKey is JMJVXDJNJSPXFY-KBPBESRZSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13(22)17-5-3-7-19(24-17)15-9-10-16-12-23-26(20(16)11-15)21-8-4-6-18(25-21)14(2)27/h3-14,27H,22H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol?
(1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol has a molecular weight of 359.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 154826539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).