6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

C23H24N4O5 — CID 37331210

IUPAC6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cnc21
InChIInChI=1S/C23H24N4O5/c1-2-7-27-20-16(21(28)25-23(27)30)11-15(13-24-20)22(29)26-8-3-4-17(26)14-5-6-18-19(12-14)32-10-9-31-18/h5-6,11-13,17H,2-4,7-10H2,1H3,(H,25,28,30)/t17-/m1/s1
InChIKeyFEFIMSSEUNCXAB-QGZVFWFLSA-N
MW436.47 g/mol
LogP2.24
Rot. Bonds4

About 6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione

6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 37331210) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID37331210
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cnc21
InChIInChI=1S/C23H24N4O5/c1-2-7-27-20-16(21(28)25-23(27)30)11-15(13-24-20)22(29)26-8-3-4-17(26)14-5-6-18-19(12-14)32-10-9-31-18/h5-6,11-13,17H,2-4,7-10H2,1H3,(H,25,28,30)/t17-/m1/s1
InChIKeyFEFIMSSEUNCXAB-QGZVFWFLSA-N
XLogP2.24
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 42937320
6-(morpholine-4-carbonyl)-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 36708442
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-ethoxyphenyl)methanone
CID 25491169
2H-benzotriazol-5-yl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 18130242
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 47021191
6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 37041328
(3,5-dichlorophenyl)-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 25491178
[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 30545726
6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 36702710
7-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 46548249
N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553241
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
CID 43033918

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione (CID 37331210) is 6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cnc21.
What is the InChIKey of 6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FEFIMSSEUNCXAB-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-2-7-27-20-16(21(28)25-23(27)30)11-15(13-24-20)22(29)26-8-3-4-17(26)14-5-6-18-19(12-14)32-10-9-31-18/h5-6,11-13,17H,2-4,7-10H2,1H3,(H,25,28,30)/t17-/m1/s1.
What are the key properties of 6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione?
6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 436.47 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-1-propylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 37331210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).