1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea

C19H24N6O2 — CID 118795656

IUPAC1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
SMILESCc1ccc(CN2CCC(CNC(=O)Nc3cccn4cnnc34)CC2)o1
InChIInChI=1S/C19H24N6O2/c1-14-4-5-16(27-14)12-24-9-6-15(7-10-24)11-20-19(26)22-17-3-2-8-25-13-21-23-18(17)25/h2-5,8,13,15H,6-7,9-12H2,1H3,(H2,20,22,26)
InChIKeyHPHVSOHAFDJJOV-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.66
Rot. Bonds5

About 1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea

1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea (PubChem CID 118795656) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
PubChem CID118795656
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
SMILESCc1ccc(CN2CCC(CNC(=O)Nc3cccn4cnnc34)CC2)o1
InChIInChI=1S/C19H24N6O2/c1-14-4-5-16(27-14)12-24-9-6-15(7-10-24)11-20-19(26)22-17-3-2-8-25-13-21-23-18(17)25/h2-5,8,13,15H,6-7,9-12H2,1H3,(H2,20,22,26)
InChIKeyHPHVSOHAFDJJOV-UHFFFAOYSA-N
XLogP2.66
TPSA87.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea?
The IUPAC name of 1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea (CID 118795656) is 1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea.
What is the SMILES notation for 1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea?
The canonical SMILES for 1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea is Cc1ccc(CN2CCC(CNC(=O)Nc3cccn4cnnc34)CC2)o1.
What is the InChIKey of 1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea?
The InChIKey is HPHVSOHAFDJJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14-4-5-16(27-14)12-24-9-6-15(7-10-24)11-20-19(26)22-17-3-2-8-25-13-21-23-18(17)25/h2-5,8,13,15H,6-7,9-12H2,1H3,(H2,20,22,26).
What are the key properties of 1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea?
1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea has a molecular weight of 368.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea is sourced from PubChem (CID 118795656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).