5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

C20H19F3N4O4 — CID 170752801

IUPAC5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC(C)N(Cc1ccn2ncc(C(=O)O)c2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O4/c1-12(2)26(11-13-7-8-27-17(9-13)16(10-24-27)18(28)29)19(30)25-14-3-5-15(6-4-14)31-20(21,22)23/h3-10,12H,11H2,1-2H3,(H,25,30)(H,28,29)
InChIKeyVQBVNOUGLFHAKB-UHFFFAOYSA-N
MW436.39 g/mol
LogP4.37
Rot. Bonds6

About 5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid

5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 170752801) has the molecular formula C20H19F3N4O4 and a molecular weight of 436.39 g/mol. Its IUPAC name is 5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID170752801
Molecular FormulaC20H19F3N4O4
Molecular Weight436.39 g/mol
Exact Mass436.14
IUPAC Name5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESCC(C)N(Cc1ccn2ncc(C(=O)O)c2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N4O4/c1-12(2)26(11-13-7-8-27-17(9-13)16(10-24-27)18(28)29)19(30)25-14-3-5-15(6-4-14)31-20(21,22)23/h3-10,12H,11H2,1-2H3,(H,25,30)(H,28,29)
InChIKeyVQBVNOUGLFHAKB-UHFFFAOYSA-N
XLogP4.37
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]-1-propan-2-yl-3-[4-(trifluoromethoxy)phenyl]urea
CID 90014582
ethyl 2-[3-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]phenyl]-1,3-oxazole-4-carboxylate
CID 118073326
1-propan-2-yl-1-[[3-[4-[2-[4-[[propan-2-yl-[[3-(1,3-thiazol-2-yl)phenyl]methyl]carbamoyl]amino]phenyl]propyl]-1,3-thiazol-2-yl]phenyl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 162592763
(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 92708068
1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 170752835
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
(2R)-2-(1,2,4-triazol-1-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
CID 94029323
3-[4-(2-fluorobut-3-en-2-yloxy)phenyl]-1-[[3-(6-methoxyquinolin-3-yl)phenyl]methyl]-1-propan-2-ylurea
CID 123432033
5-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680695
(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 51428415
1-(2-hydroxypropyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-propan-2-ylurea
CID 111969776
ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261

Frequently Asked Questions

What is the IUPAC name of 5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 170752801) is 5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is CC(C)N(Cc1ccn2ncc(C(=O)O)c2c1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is VQBVNOUGLFHAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O4/c1-12(2)26(11-13-7-8-27-17(9-13)16(10-24-27)18(28)29)19(30)25-14-3-5-15(6-4-14)31-20(21,22)23/h3-10,12H,11H2,1-2H3,(H,25,30)(H,28,29).
What are the key properties of 5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid?
5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 436.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propan-2-yl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 170752801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).