9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine

C20H17N5O2 — CID 175893549

IUPAC9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine
SMILESc1cc2c(c(Oc3ccc(N4CNc5cncnc54)cn3)c1)C1(CC1)CO2
InChIInChI=1S/C20H17N5O2/c1-2-15-18(20(6-7-20)10-26-15)16(3-1)27-17-5-4-13(8-22-17)25-12-24-14-9-21-11-23-19(14)25/h1-5,8-9,11,24H,6-7,10,12H2
InChIKeyCHAHFNGVRSMUOZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.61
Rot. Bonds3

About 9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine

9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine (PubChem CID 175893549) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine.

Molecular Properties

Compound Name9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine
PubChem CID175893549
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine
SMILESc1cc2c(c(Oc3ccc(N4CNc5cncnc54)cn3)c1)C1(CC1)CO2
InChIInChI=1S/C20H17N5O2/c1-2-15-18(20(6-7-20)10-26-15)16(3-1)27-17-5-4-13(8-22-17)25-12-24-14-9-21-11-23-19(14)25/h1-5,8-9,11,24H,6-7,10,12H2
InChIKeyCHAHFNGVRSMUOZ-UHFFFAOYSA-N
XLogP3.61
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-2-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
CID 166804417
3-N-methyl-3-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-1H-pyrrole-2,3-diamine
CID 167462398
4-methyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine
CID 167462490
2-N,4-dimethyl-2-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyridine-2,3-diamine;formaldehyde
CID 167462472
iron;1-methyl-3-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyrazole-3,4-diamine
CID 175845402
3-[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
CID 57410331
4-N,2-dimethyl-4-N-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)pyrimidine-4,5-diamine;formaldehyde
CID 167462485
(5R)-5-ethyl-5-methyl-3-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)imidazolidine-2,4-dione
CID 146486754
9-[6-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-3-pyridinyl]-7H-purin-8-one
CID 167462465
1-methyl-3-N-(5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-yl)pyrazole-3,4-diamine
CID 167462466
2-nitro-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridine
CID 145332594
N-(1-methyl-4-nitropyrazol-3-yl)-5-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyrazin-2-amine
CID 167462480

Frequently Asked Questions

What is the IUPAC name of 9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine?
The IUPAC name of 9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine (CID 175893549) is 9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine.
What is the SMILES notation for 9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine?
The canonical SMILES for 9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine is c1cc2c(c(Oc3ccc(N4CNc5cncnc54)cn3)c1)C1(CC1)CO2.
What is the InChIKey of 9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine?
The InChIKey is CHAHFNGVRSMUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-2-15-18(20(6-7-20)10-26-15)16(3-1)27-17-5-4-13(8-22-17)25-12-24-14-9-21-11-23-19(14)25/h1-5,8-9,11,24H,6-7,10,12H2.
What are the key properties of 9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine?
9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine has a molecular weight of 359.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxy-3-pyridinyl)-7,8-dihydropurine is sourced from PubChem (CID 175893549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).