6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione

C21H18N4O3 — CID 155521159

IUPAC6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(-c2ccc3c(c2)CCN3c2nccc3occc23)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C21H18N4O3/c1-12-18(24(2)21(27)23-20(12)26)14-3-4-16-13(11-14)6-9-25(16)19-15-7-10-28-17(15)5-8-22-19/h3-5,7-8,10-11H,6,9H2,1-2H3,(H,23,26,27)
InChIKeyRUVXSTRYCQUZGY-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.88
Rot. Bonds2

About 6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione

6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 155521159) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione
PubChem CID155521159
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(-c2ccc3c(c2)CCN3c2nccc3occc23)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C21H18N4O3/c1-12-18(24(2)21(27)23-20(12)26)14-3-4-16-13(11-14)6-9-25(16)19-15-7-10-28-17(15)5-8-22-19/h3-5,7-8,10-11H,6,9H2,1-2H3,(H,23,26,27)
InChIKeyRUVXSTRYCQUZGY-UHFFFAOYSA-N
XLogP2.88
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione (CID 155521159) is 6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione is Cc1c(-c2ccc3c(c2)CCN3c2nccc3occc23)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is RUVXSTRYCQUZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-12-18(24(2)21(27)23-20(12)26)14-3-4-16-13(11-14)6-9-25(16)19-15-7-10-28-17(15)5-8-22-19/h3-5,7-8,10-11H,6,9H2,1-2H3,(H,23,26,27).
What are the key properties of 6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione?
6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 374.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 155521159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).