1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea

C18H21N7O2 — CID 97270503

IUPAC1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
SMILESO=C(NC[C@H](c1ccncc1)N1CCOCC1)Nc1cccn2cnnc12
InChIInChI=1S/C18H21N7O2/c26-18(22-15-2-1-7-25-13-21-23-17(15)25)20-12-16(14-3-5-19-6-4-14)24-8-10-27-11-9-24/h1-7,13,16H,8-12H2,(H2,20,22,26)/t16-/m1/s1
InChIKeyAPZSXDVVVFGVFU-MRXNPFEDSA-N
MW367.41 g/mol
LogP1.32
Rot. Bonds5

About 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea

1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea (PubChem CID 97270503) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
PubChem CID97270503
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
SMILESO=C(NC[C@H](c1ccncc1)N1CCOCC1)Nc1cccn2cnnc12
InChIInChI=1S/C18H21N7O2/c26-18(22-15-2-1-7-25-13-21-23-17(15)25)20-12-16(14-3-5-19-6-4-14)24-8-10-27-11-9-24/h1-7,13,16H,8-12H2,(H2,20,22,26)/t16-/m1/s1
InChIKeyAPZSXDVVVFGVFU-MRXNPFEDSA-N
XLogP1.32
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 97281829
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-pyridin-3-ylurea
CID 18101833
2,3-dimethyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]benzamide
CID 124647352
2,3-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]benzamide
CID 124647353
2-cyclohexyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]acetamide
CID 99927953
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-pyridin-3-ylpropanamide
CID 99927332
N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-2-thiophen-3-ylacetamide
CID 99927845
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylsulfanylacetamide
CID 99950839
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
2,6-dimethyl-N-[(2R)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrimidine-4-carboxamide
CID 95127691
1-(3-chlorophenyl)-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 30834737
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 18589035

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea?
The IUPAC name of 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea (CID 97270503) is 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea.
What is the SMILES notation for 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea?
The canonical SMILES for 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea is O=C(NC[C@H](c1ccncc1)N1CCOCC1)Nc1cccn2cnnc12.
What is the InChIKey of 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea?
The InChIKey is APZSXDVVVFGVFU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N7O2/c26-18(22-15-2-1-7-25-13-21-23-17(15)25)20-12-16(14-3-5-19-6-4-14)24-8-10-27-11-9-24/h1-7,13,16H,8-12H2,(H2,20,22,26)/t16-/m1/s1.
What are the key properties of 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea?
1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea has a molecular weight of 367.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea is sourced from PubChem (CID 97270503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).