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

C20H22N4O2 — CID 118740903

IUPAC2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
SMILESO=C(CC1CC1)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1
InChIInChI=1S/C20H22N4O2/c25-17(8-14-3-4-14)24-7-5-20(12-24)13-26-11-16-10-22-19(23-18(16)20)15-2-1-6-21-9-15/h1-2,6,9-10,14H,3-5,7-8,11-13H2
InChIKeyWNWZKRCMUZADHR-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.34
Rot. Bonds3

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

2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone (PubChem CID 118740903) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
PubChem CID118740903
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
SMILESO=C(CC1CC1)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1
InChIInChI=1S/C20H22N4O2/c25-17(8-14-3-4-14)24-7-5-20(12-24)13-26-11-16-10-22-19(23-18(16)20)15-2-1-6-21-9-15/h1-2,6,9-10,14H,3-5,7-8,11-13H2
InChIKeyWNWZKRCMUZADHR-UHFFFAOYSA-N
XLogP2.34
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone (CID 118740903) is 2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone is O=C(CC1CC1)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1.
What is the InChIKey of 2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone?
The InChIKey is WNWZKRCMUZADHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-17(8-14-3-4-14)24-7-5-20(12-24)13-26-11-16-10-22-19(23-18(16)20)15-2-1-6-21-9-15/h1-2,6,9-10,14H,3-5,7-8,11-13H2.
What are the key properties of 2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone?
2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone has a molecular weight of 350.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone is sourced from PubChem (CID 118740903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).