4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid

C20H20FN5O3 — CID 134244078

IUPAC4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid
SMILESC/C=C(\NC(=O)Nc1cc(C)ccc1F)C(C)c1cccn2nnc(C(=O)O)c12
InChIInChI=1S/C20H20FN5O3/c1-4-15(22-20(29)23-16-10-11(2)7-8-14(16)21)12(3)13-6-5-9-26-18(13)17(19(27)28)24-25-26/h4-10,12H,1-3H3,(H,27,28)(H2,22,23,29)/b15-4-
InChIKeyIYKDIFSIOHWZNP-TVPGTPATSA-N
MW397.41 g/mol
LogP3.70
Rot. Bonds5

About 4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid

4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 134244078) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID134244078
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid
SMILESC/C=C(\NC(=O)Nc1cc(C)ccc1F)C(C)c1cccn2nnc(C(=O)O)c12
InChIInChI=1S/C20H20FN5O3/c1-4-15(22-20(29)23-16-10-11(2)7-8-14(16)21)12(3)13-6-5-9-26-18(13)17(19(27)28)24-25-26/h4-10,12H,1-3H3,(H,27,28)(H2,22,23,29)/b15-4-
InChIKeyIYKDIFSIOHWZNP-TVPGTPATSA-N
XLogP3.70
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(3-aminotriazolo[1,5-a]pyridin-4-yl)pyridazin-3-yl]-3-(2-fluoro-5-methylphenyl)urea
CID 86567279
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CID 61194813
(2S)-2-[(2-fluoro-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61196510
3-[(2-fluoro-5-methylphenyl)carbamoyl]benzoic acid
CID 43452946
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(1-cyclopropylethyl)-3-(2-fluoro-5-methylphenyl)urea
CID 47133216
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
5-[(2-fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158030
3-[(2-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740167
2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
CID 52892789
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid (CID 134244078) is 4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid is C/C=C(\NC(=O)Nc1cc(C)ccc1F)C(C)c1cccn2nnc(C(=O)O)c12.
What is the InChIKey of 4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is IYKDIFSIOHWZNP-TVPGTPATSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-4-15(22-20(29)23-16-10-11(2)7-8-14(16)21)12(3)13-6-5-9-26-18(13)17(19(27)28)24-25-26/h4-10,12H,1-3H3,(H,27,28)(H2,22,23,29)/b15-4-.
What are the key properties of 4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid?
4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 397.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-[(2-fluoro-5-methylphenyl)carbamoylamino]pent-3-en-2-yl]triazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 134244078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).