2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate

C29H26N6O3 — CID 159530759

IUPAC2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate
SMILESCC(C)(O)c1ccc(-c2ccn3ccnc3c2)cn1.COC(=O)c1ccc(-c2ccn3ccnc3c2)cn1
InChIInChI=1S/C15H15N3O.C14H11N3O2/c1-15(2,19)13-4-3-12(10-17-13)11-5-7-18-8-6-16-14(18)9-11;1-19-14(18)12-3-2-11(9-16-12)10-4-6-17-7-5-15-13(17)8-10/h3-10,19H,1-2H3;2-9H,1H3
InChIKeyMCYRODSOWOZIFX-UHFFFAOYSA-N
MW506.57 g/mol
LogP4.81
Rot. Bonds4

About 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate

2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate (PubChem CID 159530759) has the molecular formula C29H26N6O3 and a molecular weight of 506.57 g/mol. Its IUPAC name is 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate.

Molecular Properties

Compound Name2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate
PubChem CID159530759
Molecular FormulaC29H26N6O3
Molecular Weight506.57 g/mol
Exact Mass506.21
IUPAC Name2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate
SMILESCC(C)(O)c1ccc(-c2ccn3ccnc3c2)cn1.COC(=O)c1ccc(-c2ccn3ccnc3c2)cn1
InChIInChI=1S/C15H15N3O.C14H11N3O2/c1-15(2,19)13-4-3-12(10-17-13)11-5-7-18-8-6-16-14(18)9-11;1-19-14(18)12-3-2-11(9-16-12)10-4-6-17-7-5-15-13(17)8-10/h3-10,19H,1-2H3;2-9H,1H3
InChIKeyMCYRODSOWOZIFX-UHFFFAOYSA-N
XLogP4.81
TPSA106.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.57
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carboxylic Acid
CID 58266559
Methyl 2-[2-(ethylcarbamoylamino)-7-pyridin-3-ylimidazo[1,2-a]pyridin-5-yl]pyrimidine-4-carboxylate
CID 45484830
Benzyl 7-methyl-2-phenyl-imidazo[1,2-a]pyridine-3-carboxylate
CID 57384113
4-[6-[4-(4-Methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzoic acid
CID 145972396
methyl 4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-pentan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-2-carboxylate
CID 145993259
Methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate
CID 155559723
Methyl 4-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzoate
CID 156016147
2-[4-[[2-(Methoxymethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]benzoic acid
CID 44309162
4-[8-Morpholin-4-yl-2-(3-quinolin-2-ylcyclobutyl)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
CID 86345727
4-(8-Morpholino-2-(2-(quinolin-2-yl)ethyl)imidazo[1,2-a]pyrazin-5-yl)benzoic acid
CID 86345901
2-fluoro-4-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]benzoic acid
CID 117727867
4-[2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-5-yl]benzoic acid
CID 117728118

Frequently Asked Questions

What is the IUPAC name of 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate?
The IUPAC name of 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate (CID 159530759) is 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate.
What is the SMILES notation for 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate?
The canonical SMILES for 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate is CC(C)(O)c1ccc(-c2ccn3ccnc3c2)cn1.COC(=O)c1ccc(-c2ccn3ccnc3c2)cn1.
What is the InChIKey of 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate?
The InChIKey is MCYRODSOWOZIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O.C14H11N3O2/c1-15(2,19)13-4-3-12(10-17-13)11-5-7-18-8-6-16-14(18)9-11;1-19-14(18)12-3-2-11(9-16-12)10-4-6-17-7-5-15-13(17)8-10/h3-10,19H,1-2H3;2-9H,1H3.
What are the key properties of 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate?
2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate has a molecular weight of 506.57 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-imidazo[1,2-a]pyridin-7-yl-2-pyridinyl)propan-2-ol;methyl 5-imidazo[1,2-a]pyridin-7-ylpyridine-2-carboxylate is sourced from PubChem (CID 159530759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).