[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol

C23H25N7O — CID 123648226

IUPAC[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol
SMILESCCc1ncnc(N2CCN(C(O)c3ccccn3)CC2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C23H25N7O/c1-2-19-18(8-6-17-7-9-21(24)26-15-17)22(28-16-27-19)29-11-13-30(14-12-29)23(31)20-5-3-4-10-25-20/h3-5,7,9-10,15-16,23,31H,2,11-14H2,1H3,(H2,24,26)
InChIKeyGORHYTMRKBDUKY-UHFFFAOYSA-N
MW415.50 g/mol
LogP1.62
Rot. Bonds4

About [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol

[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol (PubChem CID 123648226) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol
PubChem CID123648226
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol
SMILESCCc1ncnc(N2CCN(C(O)c3ccccn3)CC2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C23H25N7O/c1-2-19-18(8-6-17-7-9-21(24)26-15-17)22(28-16-27-19)29-11-13-30(14-12-29)23(31)20-5-3-4-10-25-20/h3-5,7,9-10,15-16,23,31H,2,11-14H2,1H3,(H2,24,26)
InChIKeyGORHYTMRKBDUKY-UHFFFAOYSA-N
XLogP1.62
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol with MolForge

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Launch Full Analysis

Related Compounds

4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazine-1-carboxylic acid
CID 141304463
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 58073676
5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58073023
2-[1-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]piperidin-4-yl]-N-ethyl-N-methylacetamide
CID 58073642
5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-(4-methylsulfanylpiperazin-1-yl)pyrimidin-2-amine
CID 91424311
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 53354249
1-[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chlorophenyl]propan-1-one
CID 58072702
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methoxyphenyl]-(4-butylpiperazin-1-yl)methanone
CID 58072672
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-methylphenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 58072617
5-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chloro-N,N-diethylbenzamide
CID 58072904
5-bromo-6-(4-butan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 114072213
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 58072834

Frequently Asked Questions

What is the IUPAC name of [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol?
The IUPAC name of [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol (CID 123648226) is [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol is CCc1ncnc(N2CCN(C(O)c3ccccn3)CC2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol?
The InChIKey is GORHYTMRKBDUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-2-19-18(8-6-17-7-9-21(24)26-15-17)22(28-16-27-19)29-11-13-30(14-12-29)23(31)20-5-3-4-10-25-20/h3-5,7,9-10,15-16,23,31H,2,11-14H2,1H3,(H2,24,26).
What are the key properties of [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol?
[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol has a molecular weight of 415.50 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]piperazin-1-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 123648226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).