1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

C17H21N7O2 — CID 154800221

IUPAC1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
SMILESCn1cc([C@H]2OCCC[C@@H]2NC(=O)NCc2nnc3ccccn23)cn1
InChIInChI=1S/C17H21N7O2/c1-23-11-12(9-19-23)16-13(5-4-8-26-16)20-17(25)18-10-15-22-21-14-6-2-3-7-24(14)15/h2-3,6-7,9,11,13,16H,4-5,8,10H2,1H3,(H2,18,20,25)/t13-,16+/m0/s1
InChIKeyZFFMELKSNYTLIA-XJKSGUPXSA-N
MW355.40 g/mol
LogP1.18
Rot. Bonds4

About 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea (PubChem CID 154800221) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
PubChem CID154800221
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
SMILESCn1cc([C@H]2OCCC[C@@H]2NC(=O)NCc2nnc3ccccn23)cn1
InChIInChI=1S/C17H21N7O2/c1-23-11-12(9-19-23)16-13(5-4-8-26-16)20-17(25)18-10-15-22-21-14-6-2-3-7-24(14)15/h2-3,6-7,9,11,13,16H,4-5,8,10H2,1H3,(H2,18,20,25)/t13-,16+/m0/s1
InChIKeyZFFMELKSNYTLIA-XJKSGUPXSA-N
XLogP1.18
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)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-[(2R,3R)-2-phenyloxolan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 95971556
1-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 97086236
1-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 97086235
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475287
1-[(2-fluorophenyl)methyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
CID 128968627
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea
CID 128968666
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 128975029
2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128992337
2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]thiophene-2-carboxamide
CID 128997659
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazine-2-carboxamide
CID 128992934
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 71941343

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea (CID 154800221) is 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea is Cn1cc([C@H]2OCCC[C@@H]2NC(=O)NCc2nnc3ccccn23)cn1.
What is the InChIKey of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
The InChIKey is ZFFMELKSNYTLIA-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-23-11-12(9-19-23)16-13(5-4-8-26-16)20-17(25)18-10-15-22-21-14-6-2-3-7-24(14)15/h2-3,6-7,9,11,13,16H,4-5,8,10H2,1H3,(H2,18,20,25)/t13-,16+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea?
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea has a molecular weight of 355.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea is sourced from PubChem (CID 154800221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).