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

C21H21N5O — CID 155123625

IUPAC2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
SMILESNCCc1cccc(-c2ccc3cnn(-c4cccc(CCO)n4)c3c2)n1
InChIInChI=1S/C21H21N5O/c22-11-9-17-3-1-5-19(24-17)15-7-8-16-14-23-26(20(16)13-15)21-6-2-4-18(25-21)10-12-27/h1-8,13-14,27H,9-12,22H2
InChIKeyNZMPRNWKAVEMAC-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.52
Rot. Bonds6

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

2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol (PubChem CID 155123625) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
PubChem CID155123625
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
SMILESNCCc1cccc(-c2ccc3cnn(-c4cccc(CCO)n4)c3c2)n1
InChIInChI=1S/C21H21N5O/c22-11-9-17-3-1-5-19(24-17)15-7-8-16-14-23-26(20(16)13-15)21-6-2-4-18(25-21)10-12-27/h1-8,13-14,27H,9-12,22H2
InChIKeyNZMPRNWKAVEMAC-UHFFFAOYSA-N
XLogP2.52
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol?
The IUPAC name of 2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol (CID 155123625) is 2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for 2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol?
The canonical SMILES for 2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol is NCCc1cccc(-c2ccc3cnn(-c4cccc(CCO)n4)c3c2)n1.
What is the InChIKey of 2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol?
The InChIKey is NZMPRNWKAVEMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c22-11-9-17-3-1-5-19(24-17)15-7-8-16-14-23-26(20(16)13-15)21-6-2-4-18(25-21)10-12-27/h1-8,13-14,27H,9-12,22H2.
What are the key properties of 2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol?
2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol has a molecular weight of 359.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[6-(2-aminoethyl)-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 155123625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).