5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one

C25H25N5O3 — CID 77444065

IUPAC5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3ccc(-n4c(CC5CCN(C(=O)C6CC6)C5)n[nH]c4=O)cc3)ccc2N1
InChIInChI=1S/C25H25N5O3/c31-23-13-19-12-18(5-8-21(19)26-23)16-3-6-20(7-4-16)30-22(27-28-25(30)33)11-15-9-10-29(14-15)24(32)17-1-2-17/h3-8,12,15,17H,1-2,9-11,13-14H2,(H,26,31)(H,28,33)
InChIKeySTEGPQVRWCXKJN-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.52
Rot. Bonds5

About 5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one

5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one (PubChem CID 77444065) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one
PubChem CID77444065
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3ccc(-n4c(CC5CCN(C(=O)C6CC6)C5)n[nH]c4=O)cc3)ccc2N1
InChIInChI=1S/C25H25N5O3/c31-23-13-19-12-18(5-8-21(19)26-23)16-3-6-20(7-4-16)30-22(27-28-25(30)33)11-15-9-10-29(14-15)24(32)17-1-2-17/h3-8,12,15,17H,1-2,9-11,13-14H2,(H,26,31)(H,28,33)
InChIKeySTEGPQVRWCXKJN-UHFFFAOYSA-N
XLogP2.52
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one (CID 77444065) is 5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3ccc(-n4c(CC5CCN(C(=O)C6CC6)C5)n[nH]c4=O)cc3)ccc2N1.
What is the InChIKey of 5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one?
The InChIKey is STEGPQVRWCXKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c31-23-13-19-12-18(5-8-21(19)26-23)16-3-6-20(7-4-16)30-22(27-28-25(30)33)11-15-9-10-29(14-15)24(32)17-1-2-17/h3-8,12,15,17H,1-2,9-11,13-14H2,(H,26,31)(H,28,33).
What are the key properties of 5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one?
5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one has a molecular weight of 443.51 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-oxo-1H-1,2,4-triazol-4-yl]phenyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 77444065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).