3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol

C24H20N6O — CID 24863451

IUPAC3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol
SMILESOc1cccc2c(CCNc3cc(-c4cccnc4)nc(-c4ccccn4)n3)c[nH]c12
InChIInChI=1S/C24H20N6O/c31-21-8-3-6-18-16(15-28-23(18)21)9-12-27-22-13-20(17-5-4-10-25-14-17)29-24(30-22)19-7-1-2-11-26-19/h1-8,10-11,13-15,28,31H,9,12H2,(H,27,29,30)
InChIKeyYJCSXXFWMXJGAW-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.44
Rot. Bonds6

About 3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol

3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol (PubChem CID 24863451) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol.

Molecular Properties

Compound Name3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol
PubChem CID24863451
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol
SMILESOc1cccc2c(CCNc3cc(-c4cccnc4)nc(-c4ccccn4)n3)c[nH]c12
InChIInChI=1S/C24H20N6O/c31-21-8-3-6-18-16(15-28-23(18)21)9-12-27-22-13-20(17-5-4-10-25-14-17)29-24(30-22)19-7-1-2-11-26-19/h1-8,10-11,13-15,28,31H,9,12H2,(H,27,29,30)
InChIKeyYJCSXXFWMXJGAW-UHFFFAOYSA-N
XLogP4.44
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol?
The IUPAC name of 3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol (CID 24863451) is 3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol.
What is the SMILES notation for 3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol?
The canonical SMILES for 3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol is Oc1cccc2c(CCNc3cc(-c4cccnc4)nc(-c4ccccn4)n3)c[nH]c12.
What is the InChIKey of 3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol?
The InChIKey is YJCSXXFWMXJGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c31-21-8-3-6-18-16(15-28-23(18)21)9-12-27-22-13-20(17-5-4-10-25-14-17)29-24(30-22)19-7-1-2-11-26-19/h1-8,10-11,13-15,28,31H,9,12H2,(H,27,29,30).
What are the key properties of 3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol?
3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol has a molecular weight of 408.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol is sourced from PubChem (CID 24863451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).