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

C27H24N6O3 — CID 175227308

IUPAC2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile
SMILESCOc1cc(OCC2CCCN2c2ncc(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)27-29-12-18(11-28)13-30-27/h5-6,8-10,12-15,19H,3-4,7,16H2,1-2H3
InChIKeyLKQAPFDVFVCZKI-UHFFFAOYSA-N
MW480.53 g/mol
LogP4.77
Rot. Bonds6

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

2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile (PubChem CID 175227308) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile
PubChem CID175227308
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile
SMILESCOc1cc(OCC2CCCN2c2ncc(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)27-29-12-18(11-28)13-30-27/h5-6,8-10,12-15,19H,3-4,7,16H2,1-2H3
InChIKeyLKQAPFDVFVCZKI-UHFFFAOYSA-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

Analyze 2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

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
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
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
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
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
methyl 2-[5-[6-methoxy-4-[[1-(4-methylphenyl)piperidin-2-yl]methoxy]-1-benzofuran-2-yl]-1H-imidazol-2-yl]ethanimidate
CID 140928332
1-[4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]pyrimidin-2-yl]-4-methylpiperidin-3-ol
CID 126683712
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
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
4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-(oxan-4-yl)-1,3-thiazole
CID 126700135
tert-butyl (2S)-2-[(2-acetyl-6-methoxy-1-benzofuran-4-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 175227329
6-(6-methoxy-4-phenylmethoxy-1-benzofuran-2-yl)imidazo[1,2-b][1,2,4]triazine
CID 126683693

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 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) is 2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile is COc1cc(OCC2CCCN2c2ncc(C#N)cn2)c2cc(-c3cn4cc(C)ccc4n3)oc2c1.
What is the InChIKey of 2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile?
The InChIKey is LKQAPFDVFVCZKI-UHFFFAOYSA-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)27-29-12-18(11-28)13-30-27/h5-6,8-10,12-15,19H,3-4,7,16H2,1-2H3.
What are the key properties of 2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile?
2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-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 2-[2-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 175227308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).