3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one

C19H22N4O3 — CID 118740901

IUPAC3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
SMILESCOCCC(=O)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1
InChIInChI=1S/C19H22N4O3/c1-25-8-4-16(24)23-7-5-19(12-23)13-26-11-15-10-21-18(22-17(15)19)14-3-2-6-20-9-14/h2-3,6,9-10H,4-5,7-8,11-13H2,1H3
InChIKeyBYFMWTKTFFGLNF-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.58
Rot. Bonds4

About 3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one

3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one (PubChem CID 118740901) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
PubChem CID118740901
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
SMILESCOCCC(=O)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1
InChIInChI=1S/C19H22N4O3/c1-25-8-4-16(24)23-7-5-19(12-23)13-26-11-15-10-21-18(22-17(15)19)14-3-2-6-20-9-14/h2-3,6,9-10H,4-5,7-8,11-13H2,1H3
InChIKeyBYFMWTKTFFGLNF-UHFFFAOYSA-N
XLogP1.58
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one?
The IUPAC name of 3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one (CID 118740901) is 3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one is COCCC(=O)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1.
What is the InChIKey of 3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one?
The InChIKey is BYFMWTKTFFGLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-25-8-4-16(24)23-7-5-19(12-23)13-26-11-15-10-21-18(22-17(15)19)14-3-2-6-20-9-14/h2-3,6,9-10H,4-5,7-8,11-13H2,1H3.
What are the key properties of 3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one?
3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one has a molecular weight of 354.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one is sourced from PubChem (CID 118740901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).