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

C21H21N5O — CID 118663762

IUPAC1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
SMILESCC(O)c1cccc(-n2ncc3ccc(-c4cccc([C@H](C)N)n4)cc32)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-LSLKUGRBSA-N
MW359.43 g/mol
LogP3.56
Rot. Bonds4

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

1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol (PubChem CID 118663762) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
PubChem CID118663762
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
SMILESCC(O)c1cccc(-n2ncc3ccc(-c4cccc([C@H](C)N)n4)cc32)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-LSLKUGRBSA-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

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

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Related Compounds

(1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 154826539
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
CID 118664176
1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine
CID 118664654
[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
CID 118664225
1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(NE)-N-[1-[6-[1-(6-ethyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
CID 172917923
2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetamide
CID 118664462
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-1-amine
CID 118664726
(1R)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 130231679
(NZ)-N-[1-[6-[1-(6-propan-2-yl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
CID 136967774
(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118664339
3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid
CID 118663896
6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
CID 118663799

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol?
The IUPAC name of 1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol (CID 118663762) is 1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol is CC(O)c1cccc(-n2ncc3ccc(-c4cccc([C@H](C)N)n4)cc32)n1.
What is the InChIKey of 1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol?
The InChIKey is JMJVXDJNJSPXFY-LSLKUGRBSA-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 1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol?
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 1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 118663762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).