3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol

C25H22N6O — CID 91407277

IUPAC3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol
SMILESOCC(Cc1c[nH]c2ccccc12)N(c1ccncn1)c1cccc(-c2cccnc2)n1
InChIInChI=1S/C25H22N6O/c32-16-20(13-19-15-28-23-7-2-1-6-21(19)23)31(24-10-12-27-17-29-24)25-9-3-8-22(30-25)18-5-4-11-26-14-18/h1-12,14-15,17,20,28,32H,13,16H2
InChIKeyACZFCLLTYUIODY-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.16
Rot. Bonds7

About 3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol

3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol (PubChem CID 91407277) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol
PubChem CID91407277
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol
SMILESOCC(Cc1c[nH]c2ccccc12)N(c1ccncn1)c1cccc(-c2cccnc2)n1
InChIInChI=1S/C25H22N6O/c32-16-20(13-19-15-28-23-7-2-1-6-21(19)23)31(24-10-12-27-17-29-24)25-9-3-8-22(30-25)18-5-4-11-26-14-18/h1-12,14-15,17,20,28,32H,13,16H2
InChIKeyACZFCLLTYUIODY-UHFFFAOYSA-N
XLogP4.16
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol with MolForge

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Related Compounds

3-(1H-indol-3-yl)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 69180620
3-(1H-indol-3-yl)-2-pyridin-3-ylpropanamide
CID 173168139
2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 76892447
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
N-[2-(1H-indol-3-yl)ethyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
CID 5059317
2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 86945540
tert-butyl-[(2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 69453209
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 110286567
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;pyridine-3-carboxylic acid
CID 18645438
3-(1H-indol-3-yl)-2-[(2-methoxy-2-pyridin-3-ylacetyl)amino]propanoic acid
CID 167932753
2,6-dipyridin-3-ylpyridine
CID 13349632
(2R)-1-(1H-indol-3-yl)-3-[(5-isoquinolin-6-yl-3-pyridinyl)oxy]propan-2-amine
CID 10194205

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol?
The IUPAC name of 3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol (CID 91407277) is 3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol?
The canonical SMILES for 3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol is OCC(Cc1c[nH]c2ccccc12)N(c1ccncn1)c1cccc(-c2cccnc2)n1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol?
The InChIKey is ACZFCLLTYUIODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c32-16-20(13-19-15-28-23-7-2-1-6-21(19)23)31(24-10-12-27-17-29-24)25-9-3-8-22(30-25)18-5-4-11-26-14-18/h1-12,14-15,17,20,28,32H,13,16H2.
What are the key properties of 3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol?
3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol has a molecular weight of 422.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]propan-1-ol is sourced from PubChem (CID 91407277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).