1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea

C22H21ClN6O — CID 70231179

IUPAC1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(Cc2cc(-c3cccc(Cl)c3)c3nc(C)nn3c2)cn1
InChIInChI=1S/C22H21ClN6O/c1-3-24-22(30)27-20-8-7-15(12-25-20)9-16-10-19(17-5-4-6-18(23)11-17)21-26-14(2)28-29(21)13-16/h4-8,10-13H,3,9H2,1-2H3,(H2,24,25,27,30)
InChIKeyLBEFPBIWTXQJAD-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.49
Rot. Bonds5

About 1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea

1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea (PubChem CID 70231179) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is 1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea
PubChem CID70231179
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(Cc2cc(-c3cccc(Cl)c3)c3nc(C)nn3c2)cn1
InChIInChI=1S/C22H21ClN6O/c1-3-24-22(30)27-20-8-7-15(12-25-20)9-16-10-19(17-5-4-6-18(23)11-17)21-26-14(2)28-29(21)13-16/h4-8,10-13H,3,9H2,1-2H3,(H2,24,25,27,30)
InChIKeyLBEFPBIWTXQJAD-UHFFFAOYSA-N
XLogP4.49
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea with MolForge

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Related Compounds

methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate
CID 68620729
8-(3-chlorophenyl)-2-methyl-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 70231246
8-(3-chlorophenyl)-2-methyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 70231516
[4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea
CID 46215994
[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride
CID 158204197
5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
CID 140545391
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
CID 167579005
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
1-[3-[[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3-ethylurea
CID 16747560
4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 71622215
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
3-[6-(ethylcarbamoylamino)-4-(4-ethyl-1,3-thiazol-2-yl)-3-pyridinyl]-N,N-dimethylbenzamide
CID 59208491

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea?
The IUPAC name of 1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea (CID 70231179) is 1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea.
What is the SMILES notation for 1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea?
The canonical SMILES for 1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea is CCNC(=O)Nc1ccc(Cc2cc(-c3cccc(Cl)c3)c3nc(C)nn3c2)cn1.
What is the InChIKey of 1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea?
The InChIKey is LBEFPBIWTXQJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-3-24-22(30)27-20-8-7-15(12-25-20)9-16-10-19(17-5-4-6-18(23)11-17)21-26-14(2)28-29(21)13-16/h4-8,10-13H,3,9H2,1-2H3,(H2,24,25,27,30).
What are the key properties of 1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea?
1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea has a molecular weight of 420.90 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea is sourced from PubChem (CID 70231179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).