1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone

C19H18FN3O2 — CID 146069254

IUPAC1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)N1CC2(C1)OCc1nc(C3CC3)ncc12
InChIInChI=1S/C19H18FN3O2/c20-15-4-2-1-3-13(15)7-17(24)23-10-19(11-23)14-8-21-18(12-5-6-12)22-16(14)9-25-19/h1-4,8,12H,5-7,9-11H2
InChIKeyTWJGBESOYTUOSS-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.30
Rot. Bonds3

About 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone

1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone (PubChem CID 146069254) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone
PubChem CID146069254
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)N1CC2(C1)OCc1nc(C3CC3)ncc12
InChIInChI=1S/C19H18FN3O2/c20-15-4-2-1-3-13(15)7-17(24)23-10-19(11-23)14-8-21-18(12-5-6-12)22-16(14)9-25-19/h1-4,8,12H,5-7,9-11H2
InChIKeyTWJGBESOYTUOSS-UHFFFAOYSA-N
XLogP2.30
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 146069366
(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone
CID 146069294
(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone
CID 146069308
1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069323
2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069303
(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 146069330
2-(2-fluorophenyl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92572516
2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069316
2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069310
2-(2-fluorophenyl)-1-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 131648181
1-[2-[(2S)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenyl)ethanone
CID 92549226
1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110241586

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone (CID 146069254) is 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone is O=C(Cc1ccccc1F)N1CC2(C1)OCc1nc(C3CC3)ncc12.
What is the InChIKey of 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone?
The InChIKey is TWJGBESOYTUOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-4-2-1-3-13(15)7-17(24)23-10-19(11-23)14-8-21-18(12-5-6-12)22-16(14)9-25-19/h1-4,8,12H,5-7,9-11H2.
What are the key properties of 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone?
1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone has a molecular weight of 339.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 146069254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).