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

C26H27N7O4 — CID 126683712

IUPAC1-[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
SMILESCOc1cc(OCc2ccnc(N3CCC(C)C(O)C3)n2)c2cc(-c3cn4nc(C)cnc4n3)oc2c1
InChIInChI=1S/C26H27N7O4/c1-15-5-7-32(13-21(15)34)25-27-6-4-17(29-25)14-36-22-8-18(35-3)9-23-19(22)10-24(37-23)20-12-33-26(30-20)28-11-16(2)31-33/h4,6,8-12,15,21,34H,5,7,13-14H2,1-3H3
InChIKeyYHVHTZDZRGZPMA-UHFFFAOYSA-N
MW501.55 g/mol
LogP3.43
Rot. Bonds6

About 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

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 (PubChem CID 126683712) has the molecular formula C26H27N7O4 and a molecular weight of 501.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID126683712
Molecular FormulaC26H27N7O4
Molecular Weight501.55 g/mol
Exact Mass501.21
IUPAC Name1-[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
SMILESCOc1cc(OCc2ccnc(N3CCC(C)C(O)C3)n2)c2cc(-c3cn4nc(C)cnc4n3)oc2c1
InChIInChI=1S/C26H27N7O4/c1-15-5-7-32(13-21(15)34)25-27-6-4-17(29-25)14-36-22-8-18(35-3)9-23-19(22)10-24(37-23)20-12-33-26(30-20)28-11-16(2)31-33/h4,6,8-12,15,21,34H,5,7,13-14H2,1-3H3
InChIKeyYHVHTZDZRGZPMA-UHFFFAOYSA-N
XLogP3.43
TPSA123.93 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
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
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
6-(6-methoxy-4-phenylmethoxy-1-benzofuran-2-yl)imidazo[1,2-b][1,2,4]triazine
CID 126683693
4-[4-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]morpholine
CID 154632809
[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl] methanesulfonate
CID 175791061
2-methoxy-6-[6-methoxy-4-[[2-[(2R)-2-methylpyrrolidin-1-yl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 170067964
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
(3R)-1-[4-(methoxymethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 176625763
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-[6-methoxy-4-[[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 130375623
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OCc2ccnc(N3CCC(C)C(O)C3)n2)c2cc(-c3cn4nc(C)cnc4n3)oc2c1.
What is the InChIKey of 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?
The InChIKey is YHVHTZDZRGZPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O4/c1-15-5-7-32(13-21(15)34)25-27-6-4-17(29-25)14-36-22-8-18(35-3)9-23-19(22)10-24(37-23)20-12-33-26(30-20)28-11-16(2)31-33/h4,6,8-12,15,21,34H,5,7,13-14H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 501.55 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126683712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).