2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol

C21H28N6O — CID 171446298

IUPAC2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol
SMILESCC(C)c1cc(N2CCCC(c3cnc4ccccn34)C2)nc(NCCO)n1
InChIInChI=1S/C21H28N6O/c1-15(2)17-12-20(25-21(24-17)22-8-11-28)26-9-5-6-16(14-26)18-13-23-19-7-3-4-10-27(18)19/h3-4,7,10,12-13,15-16,28H,5-6,8-9,11,14H2,1-2H3,(H,22,24,25)
InChIKeyYFXAWPCMALIANS-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.04
Rot. Bonds6

About 2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol

2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol (PubChem CID 171446298) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol
PubChem CID171446298
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol
SMILESCC(C)c1cc(N2CCCC(c3cnc4ccccn34)C2)nc(NCCO)n1
InChIInChI=1S/C21H28N6O/c1-15(2)17-12-20(25-21(24-17)22-8-11-28)26-9-5-6-16(14-26)18-13-23-19-7-3-4-10-27(18)19/h3-4,7,10,12-13,15-16,28H,5-6,8-9,11,14H2,1-2H3,(H,22,24,25)
InChIKeyYFXAWPCMALIANS-UHFFFAOYSA-N
XLogP3.04
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol with MolForge

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Related Compounds

4-(3-imidazo[1,2-c]pyrimidin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-amine
CID 171446029
4-(3-imidazo[1,2-a]pyridin-3-ylpiperazin-1-yl)-6-propan-2-ylpyrimidin-2-amine
CID 171445959
3-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]imidazo[1,2-a]pyridine
CID 171446115
4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 171446154
4-propan-2-yl-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]pyrimidin-2-amine
CID 171446126
3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86797164
2-[[2-amino-6-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 50973235
N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine
CID 112935945
6-(2-imidazo[1,2-a]pyridin-3-ylmorpholin-4-yl)pyrimidine-2,4-diamine
CID 171446091
1-[2-[2-(diethylamino)ethylamino]pyrimidin-4-yl]piperidin-3-ol
CID 50955286
2-[[4-[(3R)-oxolan-3-yl]-6-piperidin-1-ylpyrimidin-2-yl]amino]ethanol
CID 126431392
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine
CID 122138214

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol (CID 171446298) is 2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol is CC(C)c1cc(N2CCCC(c3cnc4ccccn34)C2)nc(NCCO)n1.
What is the InChIKey of 2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol?
The InChIKey is YFXAWPCMALIANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-15(2)17-12-20(25-21(24-17)22-8-11-28)26-9-5-6-16(14-26)18-13-23-19-7-3-4-10-27(18)19/h3-4,7,10,12-13,15-16,28H,5-6,8-9,11,14H2,1-2H3,(H,22,24,25).
What are the key properties of 2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol?
2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol has a molecular weight of 380.50 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)-6-propan-2-ylpyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 171446298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).