1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea

C17H17F2N5O — CID 95154279

IUPAC1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
SMILESCC(C)[C@@H](NC(=O)Nc1ccc(F)cc1F)c1nnc2ccccn12
InChIInChI=1S/C17H17F2N5O/c1-10(2)15(16-23-22-14-5-3-4-8-24(14)16)21-17(25)20-13-7-6-11(18)9-12(13)19/h3-10,15H,1-2H3,(H2,20,21,25)/t15-/m1/s1
InChIKeyOWKJCAUGDCMWQF-OAHLLOKOSA-N
MW345.35 g/mol
LogP3.53
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea

1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea (PubChem CID 95154279) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
PubChem CID95154279
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
SMILESCC(C)[C@@H](NC(=O)Nc1ccc(F)cc1F)c1nnc2ccccn12
InChIInChI=1S/C17H17F2N5O/c1-10(2)15(16-23-22-14-5-3-4-8-24(14)16)21-17(25)20-13-7-6-11(18)9-12(13)19/h3-10,15H,1-2H3,(H2,20,21,25)/t15-/m1/s1
InChIKeyOWKJCAUGDCMWQF-OAHLLOKOSA-N
XLogP3.53
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 95154280
3-[2-[[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamoylamino]phenyl]sulfanylpropanamide
CID 56557162
(E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide
CID 23474073
N-(2,4-difluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide
CID 119038879
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 110922336
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 42536093
1-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-[(Z)-3-phenylprop-2-enyl]urea
CID 97359222
1-(2-chloro-4-iodophenyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 112825620
2-(2,4-dichlorophenoxy)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 23474049
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 71847322
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide
CID 29140560

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea (CID 95154279) is 1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea is CC(C)[C@@H](NC(=O)Nc1ccc(F)cc1F)c1nnc2ccccn12.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea?
The InChIKey is OWKJCAUGDCMWQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17F2N5O/c1-10(2)15(16-23-22-14-5-3-4-8-24(14)16)21-17(25)20-13-7-6-11(18)9-12(13)19/h3-10,15H,1-2H3,(H2,20,21,25)/t15-/m1/s1.
What are the key properties of 1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea?
1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea has a molecular weight of 345.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea is sourced from PubChem (CID 95154279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).