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

C17H19N5O2 — CID 146069294

IUPAC(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CC2(C1)OCc1nc(C3CC3)ncc12
InChIInChI=1S/C17H19N5O2/c1-2-22-14(5-6-19-22)16(23)21-9-17(10-21)12-7-18-15(11-3-4-11)20-13(12)8-24-17/h5-7,11H,2-4,8-10H2,1H3
InChIKeyLCYSSDFRJPPMBZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.45
Rot. Bonds3

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

(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone (PubChem CID 146069294) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone
PubChem CID146069294
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)N1CC2(C1)OCc1nc(C3CC3)ncc12
InChIInChI=1S/C17H19N5O2/c1-2-22-14(5-6-19-22)16(23)21-9-17(10-21)12-7-18-15(11-3-4-11)20-13(12)8-24-17/h5-7,11H,2-4,8-10H2,1H3
InChIKeyLCYSSDFRJPPMBZ-UHFFFAOYSA-N
XLogP1.45
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone (CID 146069294) is (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)N1CC2(C1)OCc1nc(C3CC3)ncc12.
What is the InChIKey of (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is LCYSSDFRJPPMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-22-14(5-6-19-22)16(23)21-9-17(10-21)12-7-18-15(11-3-4-11)20-13(12)8-24-17/h5-7,11H,2-4,8-10H2,1H3.
What are the key properties of (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone?
(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 325.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 146069294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).