5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile

C27H24N6O3 — CID 163215769

IUPAC5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESCOc1cc(OC[C@@H]2CCCN2c2cnc(C#N)cn2)c2cc(-c3cn4cc(C)ccc4n3)oc2c1
InChIInChI=1S/C27H24N6O3/c1-17-5-6-26-31-22(15-32(26)14-17)25-10-21-23(8-20(34-2)9-24(21)36-25)35-16-19-4-3-7-33(19)27-13-29-18(11-28)12-30-27/h5-6,8-10,12-15,19H,3-4,7,16H2,1-2H3/t19-/m0/s1
InChIKeyGVIJFJBJEYISEZ-IBGZPJMESA-N
MW480.53 g/mol
LogP4.77
Rot. Bonds6

About 5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile

5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 163215769) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
PubChem CID163215769
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
SMILESCOc1cc(OC[C@@H]2CCCN2c2cnc(C#N)cn2)c2cc(-c3cn4cc(C)ccc4n3)oc2c1
InChIInChI=1S/C27H24N6O3/c1-17-5-6-26-31-22(15-32(26)14-17)25-10-21-23(8-20(34-2)9-24(21)36-25)35-16-19-4-3-7-33(19)27-13-29-18(11-28)12-30-27/h5-6,8-10,12-15,19H,3-4,7,16H2,1-2H3/t19-/m0/s1
InChIKeyGVIJFJBJEYISEZ-IBGZPJMESA-N
XLogP4.77
TPSA101.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 175227308
2-[3-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 163215722
6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole
CID 140928347
4-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-6-methoxy-1-benzofuran-4-yl]oxymethyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 163215739
methyl 2-[5-[6-methoxy-4-[[1-(4-methylphenyl)piperidin-2-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate
CID 140928332
4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
CID 130179601
ethyl 4-[2-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate
CID 139292995
2-(4-methoxyphenyl)-4-[[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1-benzofuran-4-yl]oxymethyl]-1,3-thiazole
CID 163215736
6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 139293072
5-[2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 127909683
2-methoxy-6-[6-methoxy-4-[[(3R)-1-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 139293044
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile (CID 163215769) is 5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile is COc1cc(OC[C@@H]2CCCN2c2cnc(C#N)cn2)c2cc(-c3cn4cc(C)ccc4n3)oc2c1.
What is the InChIKey of 5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is GVIJFJBJEYISEZ-IBGZPJMESA-N. The full InChI is InChI=1S/C27H24N6O3/c1-17-5-6-26-31-22(15-32(26)14-17)25-10-21-23(8-20(34-2)9-24(21)36-25)35-16-19-4-3-7-33(19)27-13-29-18(11-28)12-30-27/h5-6,8-10,12-15,19H,3-4,7,16H2,1-2H3/t19-/m0/s1.
What are the key properties of 5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile?
5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 480.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 163215769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).