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

C25H22N6O — CID 69180620

IUPAC3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESOCC(Cc1c[nH]c2ccccc12)Nc1cc(-c2cccnc2)nc(-c2ccccn2)n1
InChIInChI=1S/C25H22N6O/c32-16-19(12-18-15-28-21-8-2-1-7-20(18)21)29-24-13-23(17-6-5-10-26-14-17)30-25(31-24)22-9-3-4-11-27-22/h1-11,13-15,19,28,32H,12,16H2,(H,29,30,31)
InChIKeyGXLAJWHZOODOMF-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.10
Rot. Bonds7

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

3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 69180620) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID69180620
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESOCC(Cc1c[nH]c2ccccc12)Nc1cc(-c2cccnc2)nc(-c2ccccn2)n1
InChIInChI=1S/C25H22N6O/c32-16-19(12-18-15-28-21-8-2-1-7-20(18)21)29-24-13-23(17-6-5-10-26-14-17)30-25(31-24)22-9-3-4-11-27-22/h1-11,13-15,19,28,32H,12,16H2,(H,29,30,31)
InChIKeyGXLAJWHZOODOMF-UHFFFAOYSA-N
XLogP4.10
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol with MolForge

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Related Compounds

2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol
CID 69184039
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
CID 24862955
N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
CID 5059317
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 69184531
3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol
CID 91407277
3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol
CID 84584832
2-pyridin-2-yl-6-pyridin-3-yl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 69182655
2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 86945540
trans-(1S,2S)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 69183255
2-[(7-chloroquinolin-4-yl)amino]-3-(1H-indol-3-yl)propan-1-ol
CID 146126635
(2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol
CID 156866263
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;pyridine-3-carboxylic acid
CID 18645438

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol (CID 69180620) is 3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol is OCC(Cc1c[nH]c2ccccc12)Nc1cc(-c2cccnc2)nc(-c2ccccn2)n1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is GXLAJWHZOODOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c32-16-19(12-18-15-28-21-8-2-1-7-20(18)21)29-24-13-23(17-6-5-10-26-14-17)30-25(31-24)22-9-3-4-11-27-22/h1-11,13-15,19,28,32H,12,16H2,(H,29,30,31).
What are the key properties of 3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol?
3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 422.49 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 69180620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).