1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea

C26H27N5O2 — CID 166227919

IUPAC1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC(C)c1ccc2c(c1)C(NC(=O)Nc1cccc(Cn3nc4ccccn4c3=O)c1)CC2
InChIInChI=1S/C26H27N5O2/c1-17(2)20-10-9-19-11-12-23(22(19)15-20)28-25(32)27-21-7-5-6-18(14-21)16-31-26(33)30-13-4-3-8-24(30)29-31/h3-10,13-15,17,23H,11-12,16H2,1-2H3,(H2,27,28,32)
InChIKeyCJLDGJZCHJNPFX-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.48
Rot. Bonds5

About 1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea

1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 166227919) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID166227919
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea
SMILESCC(C)c1ccc2c(c1)C(NC(=O)Nc1cccc(Cn3nc4ccccn4c3=O)c1)CC2
InChIInChI=1S/C26H27N5O2/c1-17(2)20-10-9-19-11-12-23(22(19)15-20)28-25(32)27-21-7-5-6-18(14-21)16-31-26(33)30-13-4-3-8-24(30)29-31/h3-10,13-15,17,23H,11-12,16H2,1-2H3,(H2,27,28,32)
InChIKeyCJLDGJZCHJNPFX-UHFFFAOYSA-N
XLogP4.48
TPSA80.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea (CID 166227919) is 1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea is CC(C)c1ccc2c(c1)C(NC(=O)Nc1cccc(Cn3nc4ccccn4c3=O)c1)CC2.
What is the InChIKey of 1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is CJLDGJZCHJNPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-17(2)20-10-9-19-11-12-23(22(19)15-20)28-25(32)27-21-7-5-6-18(14-21)16-31-26(33)30-13-4-3-8-24(30)29-31/h3-10,13-15,17,23H,11-12,16H2,1-2H3,(H2,27,28,32).
What are the key properties of 1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea?
1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 441.54 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 166227919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).