1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

C18H20N4O3S — CID 118740902

IUPAC1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESO=S(=O)(C1CC1)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1
InChIInChI=1S/C18H20N4O3S/c23-26(24,15-3-4-15)22-7-5-18(11-22)12-25-10-14-9-20-17(21-16(14)18)13-2-1-6-19-8-13/h1-2,6,8-9,15H,3-5,7,10-12H2
InChIKeyNCLWUTHGYWPUKT-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.50
Rot. Bonds3

About 1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]

1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (PubChem CID 118740902) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].

Molecular Properties

Compound Name1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
PubChem CID118740902
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
SMILESO=S(=O)(C1CC1)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1
InChIInChI=1S/C18H20N4O3S/c23-26(24,15-3-4-15)22-7-5-18(11-22)12-25-10-14-9-20-17(21-16(14)18)13-2-1-6-19-8-13/h1-2,6,8-9,15H,3-5,7,10-12H2
InChIKeyNCLWUTHGYWPUKT-UHFFFAOYSA-N
XLogP1.50
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The IUPAC name of 1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] (CID 118740902) is 1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine].
What is the SMILES notation for 1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The canonical SMILES for 1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is O=S(=O)(C1CC1)N1CCC2(COCc3cnc(-c4cccnc4)nc32)C1.
What is the InChIKey of 1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
The InChIKey is NCLWUTHGYWPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-26(24,15-3-4-15)22-7-5-18(11-22)12-25-10-14-9-20-17(21-16(14)18)13-2-1-6-19-8-13/h1-2,6,8-9,15H,3-5,7,10-12H2.
What are the key properties of 1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]?
1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] has a molecular weight of 372.45 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopropylsulfonyl-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine] is sourced from PubChem (CID 118740902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).