2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol

C14H14N4O — CID 85472976

IUPAC2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol
SMILESOCCNc1cc(-c2n[nH]c3ccccc23)ccn1
InChIInChI=1S/C14H14N4O/c19-8-7-16-13-9-10(5-6-15-13)14-11-3-1-2-4-12(11)17-18-14/h1-6,9,19H,7-8H2,(H,15,16)(H,17,18)
InChIKeyLPPJBGISDRPAGV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.03
Rot. Bonds4

About 2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol

2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol (PubChem CID 85472976) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol
PubChem CID85472976
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol
SMILESOCCNc1cc(-c2n[nH]c3ccccc23)ccn1
InChIInChI=1S/C14H14N4O/c19-8-7-16-13-9-10(5-6-15-13)14-11-3-1-2-4-12(11)17-18-14/h1-6,9,19H,7-8H2,(H,15,16)(H,17,18)
InChIKeyLPPJBGISDRPAGV-UHFFFAOYSA-N
XLogP2.03
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol (CID 85472976) is 2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol is OCCNc1cc(-c2n[nH]c3ccccc23)ccn1.
What is the InChIKey of 2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol?
The InChIKey is LPPJBGISDRPAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c19-8-7-16-13-9-10(5-6-15-13)14-11-3-1-2-4-12(11)17-18-14/h1-6,9,19H,7-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol?
2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol has a molecular weight of 254.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-indazol-3-yl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 85472976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).